NP-MRD: Showing NP-Card for ipratropium (NP0221832)

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Record Information

Version

2.0

Created at

2022-09-05 23:30:44 UTC

Updated at

2022-09-05 23:30:44 UTC

NP-MRD ID

NP0221832

Secondary Accession Numbers

None

Natural Product Identification

Common Name

ipratropium

Description

Ipratropium belongs to the class of organic compounds known as tropane alkaloids. These are organic compounds containing the nitrogenous bicyclic alkaloid parent N-Methyl-8-azabicyclo[3.2.1]Octane. ipratropium is found in Apis cerana. ipratropium was first documented in 2022 (PMID: 35965822). Based on a literature review a small amount of articles have been published on ipratropium (PMID: 35860074) (PMID: 35838014) (PMID: 35832532) (PMID: 35781234).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 54 56  0  0  0  0  0  0  0  0999 V2000
   -3.7394   -0.8549   -1.1244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8779    0.0531    0.0088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4656    1.3631   -0.5606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8571    0.3987    0.8798 N   0  0  2  0  0  4  0  0  0  0  0  0
   -3.5340    1.1530    1.9633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8373    1.2917    0.3967 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0641    1.5629    1.6993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1177    0.2452    2.3745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0812   -0.5981    1.5225 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2127   -1.4435    0.6554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4756   -0.6913   -0.4239 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9323   -0.8374   -0.3316 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6973   -1.5222   -1.2634 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0732   -2.0280   -2.2305 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1492   -1.6860   -1.1889 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5479   -2.5611    0.0143 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1096   -1.9650    1.1813 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8947   -0.4216   -1.1893 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8375   -0.1340   -2.1719 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5426    1.0460   -2.1834 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3479    2.0005   -1.2202 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4119    1.7344   -0.2302 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7000    0.5398   -0.2210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8665    0.7401   -0.5703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6643   -1.9321   -0.9188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7080   -0.7706   -1.7158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9731   -0.5858   -1.8801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7398   -0.3411    0.6369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7052    2.0855    0.2171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3739    1.1249   -1.1797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7462    1.8366   -1.2663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471    1.0009    1.9479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2284    0.8342    2.9572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4282    2.2558    1.7932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1987    2.2557    0.0453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0136    1.8575    1.3981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4554    2.4075    2.2568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0723   -0.1875    2.3359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3613    0.2398    3.4373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6886   -1.2537    2.1535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6743   -2.3929    0.3097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3923   -1.8241    1.3458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7292   -1.2446   -1.3796 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4832   -2.2792   -2.0645 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0546   -3.5517   -0.0645 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6323   -2.7536    0.0026 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2425   -2.5761    1.9310 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9741   -0.9081   -2.9255 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2632    1.2341   -2.9583 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8870    2.9453   -1.1968 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2535    2.4824    0.5317 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667    0.3472    0.5665 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0794    1.3570   -0.4575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1517    0.9513   -1.6452 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  4  2  1  6
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 24  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 15 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
  9  4  1  0
 23 18  1  0
 24  6  1  0
  1 25  1  0
  1 26  1  0
  1 27  1  0
  2 28  1  0
  3 29  1  0
  3 30  1  0
  3 31  1  0
  5 32  1  0
  5 33  1  0
  5 34  1  0
  6 35  1  6
  7 36  1  0
  7 37  1  0
  8 38  1  0
  8 39  1  0
  9 40  1  1
 10 41  1  0
 10 42  1  0
 11 43  1  6
 24 53  1  0
 24 54  1  0
 15 44  1  6
 16 45  1  0
 16 46  1  0
 17 47  1  0
 19 48  1  0
 20 49  1  0
 21 50  1  0
 22 51  1  0
 23 52  1  0
M  CHG  1   4   1
M  END


  Mrv1652309062201302D          

 24 26  0  0  1  0            999 V2000
    0.4850    5.7856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1770    4.9084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0512    4.8978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9526    4.7770    0.0000 N   0  3  2  0  0  0  0  0  0  0  0  0
   -0.2893    3.9095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7863    5.7178    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5850    5.5111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9213    4.7577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5420    4.0251    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7327    3.8648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1029    4.3976    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6171    3.8178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0349    3.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2641    2.7611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6922    2.5210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3762    3.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1411    2.7461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8069    1.7040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5718    1.3949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6865    0.5779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0363    0.0700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2714    0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1567    1.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1267    5.2223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  6  0  0  0
  4  6  1  0  0  0  0
  6  7  1  1  0  0  0
  7  8  1  0  0  0  0
  9  8  1  1  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  1  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 18 23  1  0  0  0  0
 11 24  1  0  0  0  0
  6 24  1  0  0  0  0
M  CHG  1   4   1
M  END
> <DATABASE_ID>
NP0221832

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)[N@+]1(C)[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)C1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C20H30NO3/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15/h4-8,14,16-19,22H,9-13H2,1-3H3/q+1/t16-,17+,18+,19?,21+

> <INCHI_KEY>
OEXHQOGQTVQTAT-JRNQLAHRSA-N

> <FORMULA>
C20H30NO3

> <MOLECULAR_WEIGHT>
332.463

> <EXACT_MASS>
332.22202025

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
54

> <JCHEM_AVERAGE_POLARIZABILITY>
36.90988662111832

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
1

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R,3R,5S,8S)-3-[(3-hydroxy-2-phenylpropanoyl)oxy]-8-methyl-8-(propan-2-yl)-8-azabicyclo[3.2.1]octan-8-ium

> <JCHEM_LOGP>
-1.8177126204717458

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.14573979457521

> <JCHEM_PKA_STRONGEST_BASIC>
-2.7350534138528033

> <JCHEM_POLAR_SURFACE_AREA>
46.53

> <JCHEM_REFRACTIVITY>
105.8974

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
ipratropium

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-SEP-22         0                                  
HETATM    1  C   UNK     0       0.905  10.800   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.330   9.162   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.962   9.143   0.000  0.00  0.00           C+0
HETATM    4  N   UNK     0      -1.778   8.917   0.000  0.00  0.00           N+1
HETATM    5  C   UNK     0      -0.540   7.298   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.468  10.673   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -2.959  10.287   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -3.586   8.881   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -2.878   7.514   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -1.368   7.214   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -0.192   8.209   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       1.152   7.127   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       1.932   5.703   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       0.493   5.154   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       3.159   4.706   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.436   5.703   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       5.863   5.126   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       3.373   3.181   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.801   2.604   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       5.015   1.079   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       3.801   0.131   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       2.373   0.708   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       2.159   2.233   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -0.236   9.748   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5    6    9                                             
CONECT    5    4                                                            
CONECT    6    4    7   24                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8    4   10                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12   24                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16   18                                                  
CONECT   16   15   17                                                       
CONECT   17   16                                                            
CONECT   18   15   19   23                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   18                                                       
CONECT   24   11    6                                                       
MASTER        0    0    0    0    0    0    0    0   24    0   52    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₀H₃₀NO₃

Average Mass

332.4630 Da

Monoisotopic Mass

332.22202 Da

IUPAC Name

(1R,3R,5S,8S)-3-[(3-hydroxy-2-phenylpropanoyl)oxy]-8-methyl-8-(propan-2-yl)-8-azabicyclo[3.2.1]octan-8-ium

Traditional Name

ipratropium

CAS Registry Number

Not Available

SMILES

CC(C)[N@+]1(C)[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)C1=CC=CC=C1

InChI Identifier

InChI=1S/C20H30NO3/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15/h4-8,14,16-19,22H,9-13H2,1-3H3/q+1/t16-,17+,18+,19?,21+

InChI Key

OEXHQOGQTVQTAT-JRNQLAHRSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Apis cerana	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as tropane alkaloids. These are organic compounds containing the nitrogenous bicyclic alkaloid parent N-Methyl-8-azabicyclo[3.2.1]Octane.

Kingdom

Organic compounds

Super Class

Alkaloids and derivatives

Class

Tropane alkaloids

Sub Class

Not Available

Direct Parent

Tropane alkaloids

Alternative Parents

Substituents

Tropane alkaloid
Beta-hydroxy acid
Monocyclic benzene moiety
Hydroxy acid
Piperidine
N-alkylpyrrolidine
Benzenoid
Tetraalkylammonium salt
Pyrrolidine
Quaternary ammonium salt
Carboxylic acid ester
Carboxylic acid derivative
Organoheterocyclic compound
Azacycle
Monocarboxylic acid or derivatives
Amine
Organic nitrogen compound
Primary alcohol
Organic oxide
Organooxygen compound
Organonitrogen compound
Hydrocarbon derivative
Organopnictogen compound
Alcohol
Organic salt
Carbonyl group
Organic oxygen compound
Organic cation
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

quaternary ammonium ion (CHEBI:5956 )
propanoate ester (CHEBI:5956 )
tropane alkaloid (CHEBI:5956 )

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	-1.8	ChemAxon
pKa (Strongest Acidic)	15.15	ChemAxon
pKa (Strongest Basic)	-2.7	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	46.53 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	105.9 m³·mol⁻¹	ChemAxon
Polarizability	36.91 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

21864752

KEGG Compound ID

C07052

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Ipratropium bromide

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

5956

Good Scents ID

Not Available

References

General References

Huang Y, Long R, Tang Y, Li J, Meng L, Yang J, Qiu F: Effects of 4-DAMP on allergic rhinitis in guinea pigs and its potential mechanism. Ann Transl Med. 2022 Jul;10(14):774. doi: 10.21037/atm-22-2998. [PubMed:35965822 ]
Yadav GK, Keshari B, Rohita DK, Mandal KC, Bogati S, Mishra DR: A case report of secondary spontaneous pneumothorax in acute exacerbation of COPD managed with improvised chest tube drain. Ann Med Surg (Lond). 2022 Jun 25;79:104064. doi: 10.1016/j.amsu.2022.104064. eCollection 2022 Jul. [PubMed:35860074 ]
Pang JC, Vasudev M, Du AT, Nottoli MM, Dang K, Kuan EC: Intranasal Anticholinergics for Treatment of Chronic Rhinitis: Systematic Review and Meta-Analysis. Laryngoscope. 2022 Jul 15. doi: 10.1002/lary.30306. [PubMed:35838014 ]
Dong Y, Li Q: Compound Ipratropium Bromide plus Budesonide Inhalation in the Treatment of Acute Exacerbation of Chronic Obstructive Pulmonary Disease and Its Effect on Heparin-Binding Protein. Evid Based Complement Alternat Med. 2022 Jul 4;2022:4457740. doi: 10.1155/2022/4457740. eCollection 2022. [PubMed:35832532 ]
Nayir Buyuksahin H, Emiralioglu N, Ademhan Tural D, Ozsezen B, Sunman B, Guzelkas I, Yalcin E, Dogru D, Ozcelik U, Kiper N: The Importance of Flexible Bronchoscopy in Difficult-to-treat Asthma from a Pediatric Pulmonology Perspective. Turk Arch Pediatr. 2022 May;57(3):310-315. doi: 10.5152/TurkArchPediatr.2022.21315. [PubMed:35781234 ]
LOTUS database [Link]

Showing NP-Card for ipratropium (NP0221832)

MOL for NP0221832 (ipratropium)

3D MOL for NP0221832 (ipratropium)

3D SDF for NP0221832 (ipratropium)

3D-SDF for NP0221832 (ipratropium)

PDB for NP0221832 (ipratropium)

3D PDB for NP0221832 (ipratropium)

SMILES for NP0221832 (ipratropium)

INCHI for NP0221832 (ipratropium)

Structure for NP0221832 (ipratropium)

3D Structure for NP0221832 (ipratropium)