NP-MRD: Showing NP-Card for pentazocine (NP0164734)

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Record Information

Version

2.0

Created at

2022-09-02 23:40:09 UTC

Updated at

2022-09-02 23:40:09 UTC

NP-MRD ID

NP0164734

Secondary Accession Numbers

None

Natural Product Identification

Common Name

pentazocine

Description

(+)-Pentazocine, also known as fortral or lexir, belongs to the class of organic compounds known as 2,6-dimethyl-3-benzazocines. These are aromatic compounds containing a 6,7-benzomorphan skeleton, which is substituted by methyl group at the 2- and 6-positions. pentazocine is found in Papaver somniferum. pentazocine was first documented in 2022 (PMID: 36000113). Based on a literature review a small amount of articles have been published on (+)-Pentazocine (PMID: 35928702) (PMID: 35910816) (PMID: 35754470) (PMID: 35745593).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 48 50  0  0  0  0  0  0  0  0999 V2000
    4.7797   -1.2550   -0.2191 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2694   -0.0453    0.4995 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1815    0.5396    1.5309 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0747    0.4644    0.2234 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2414   -0.1588   -0.7948 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9760   -0.6402   -0.3621 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2407   -1.2267   -1.4181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2268   -1.0722   -1.4022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8678   -0.7634   -0.1038 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.9737   -1.7797    0.1757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4646    0.5941   -0.1597 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8101    0.8163   -0.3215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3575    2.0813   -0.3718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7350    2.2918   -0.5376 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4807    3.1398   -0.2505 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1264    2.9431   -0.0873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6044    1.6549   -0.0405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333    1.4916    0.1370 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2801    0.1373    0.5847 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8945   -0.7203    1.0688 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4153   -2.0790    1.4503 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0085   -2.0631   -0.0593 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7126   -1.6356    0.2199 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8251   -1.0594   -1.2878 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5923   -0.2633    2.2088 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7308    1.3684    2.0842 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0625    0.9339    0.9814 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8005    1.3449    0.8040 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0867    0.6128   -1.6080 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7965   -0.9843   -1.2760 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5312   -2.3185   -1.4847 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6654   -0.8094   -2.3814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6685   -2.0179   -1.8406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5111   -0.2949   -2.1736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5011   -2.7822    0.2231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6022   -1.8015   -0.7560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5396   -1.5545    1.0788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5107   -0.0080   -0.4181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3258    2.3533    0.3034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8778    4.1415   -0.2858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4344    3.7809    0.0084 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1556    2.2668    0.9049 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4103    1.7651   -0.7888 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9401    0.2264    1.4987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3941   -0.2306    1.9249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0317   -2.4913    2.3022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5038   -2.7956    0.6234 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6291   -2.0969    1.8192 H   0  0  0  0  0  0  0  0  0  0  0  0
 21 20  1  0
 20 19  1  0
 19 18  1  0
 18 17  1  0
 17 16  2  0
 16 15  1  0
 15 13  2  0
 13 14  1  0
 13 12  1  0
 12 11  2  0
 11  9  1  0
  9 10  1  1
  9  8  1  0
  8  7  1  0
  7  6  1  0
  6  5  1  0
  5  4  1  0
  4  2  2  3
  2  1  1  0
  2  3  1  0
  9 20  1  0
  6 19  1  0
 11 17  1  0
 21 46  1  0
 21 47  1  0
 21 48  1  0
 20 45  1  1
 19 44  1  1
 18 42  1  0
 18 43  1  0
 16 41  1  0
 15 40  1  0
 14 39  1  0
 12 38  1  0
 10 35  1  0
 10 36  1  0
 10 37  1  0
  8 33  1  0
  8 34  1  0
  7 31  1  0
  7 32  1  0
  5 29  1  0
  5 30  1  0
  4 28  1  0
  1 22  1  0
  1 23  1  0
  1 24  1  0
  3 25  1  0
  3 26  1  0
  3 27  1  0
M  END


  Mrv1652309032201402D          

 21 23  0  0  0  0            999 V2000
    0.1977    3.0831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2356    2.2590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9683    1.8798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4591    1.8141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4212    0.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3115    0.6108    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2416   -0.2113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7734   -0.8420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5954   -0.9119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8454   -1.6982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2261   -0.3801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9031   -0.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6499   -0.5013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3269   -0.9729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7199    0.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0430    0.7923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2961    0.4419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7643    1.0726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9423    1.1426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0120    0.0337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2290    0.2936    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  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 11 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
  6 19  1  0  0  0  0
 19 20  1  0  0  0  0
  9 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0164734

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1C2CC3=CC=C(O)C=C3C1(C)CCN2CC=C(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3

> <INCHI_KEY>
VOKSWYLNZZRQPF-UHFFFAOYSA-N

> <FORMULA>
C19H27NO

> <MOLECULAR_WEIGHT>
285.431

> <EXACT_MASS>
285.209264493

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
48

> <JCHEM_AVERAGE_POLARIZABILITY>
33.740267061160225

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
1,13-dimethyl-10-(3-methylbut-2-en-1-yl)-10-azatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,5-trien-4-ol

> <ALOGPS_LOGP>
4.44

> <JCHEM_LOGP>
3.8936200460770922

> <ALOGPS_LOGS>
-3.37

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.42161974255917

> <JCHEM_PKA_STRONGEST_BASIC>
9.570601535132962

> <JCHEM_POLAR_SURFACE_AREA>
23.47

> <JCHEM_REFRACTIVITY>
89.79930000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.22e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1,13-dimethyl-10-(3-methylbut-2-en-1-yl)-10-azatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,5-trien-4-ol

> <JCHEM_VEBER_RULE>
1

$$$$

HEADER    PROTEIN                                 03-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   03-SEP-22         0                                  
HETATM    1  C   UNK     0       0.369   5.755   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.440   4.217   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.808   3.509   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -0.857   3.386   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -0.786   1.848   0.000  0.00  0.00           C+0
HETATM    6  N   UNK     0       0.582   1.140   0.000  0.00  0.00           N+0
HETATM    7  C   UNK     0       0.451  -0.394   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.444  -1.572   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.978  -1.702   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       3.445  -3.170   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       4.155  -0.710   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       5.419  -1.590   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       6.813  -0.936   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       8.077  -1.816   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       6.944   0.599   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       5.680   1.479   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       4.286   0.825   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       3.293   2.002   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       1.759   2.133   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       1.889   0.063   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       0.428   0.548   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   19                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   11   20                                             
CONECT   10    9                                                            
CONECT   11    9   12   17                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   11   18                                                  
CONECT   18   17   19                                                       
CONECT   19   18    6   20                                                  
CONECT   20   19    9   21                                                  
CONECT   21   20                                                            
MASTER        0    0    0    0    0    0    0    0   21    0   46    0
END

View in JSmol

Synonyms

Value	Source
Fortral	HMDB
Hydrochloride, pentazocine	HMDB
Lactate, pentazocine	HMDB
Lexir	HMDB
Pentazocine	HMDB
Pentazocine hydrochloride	HMDB
Pentazocine lactate	HMDB

Chemical Formula

C₁₉H₂₇NO

Average Mass

285.4310 Da

Monoisotopic Mass

285.20926 Da

IUPAC Name

1,13-dimethyl-10-(3-methylbut-2-en-1-yl)-10-azatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,5-trien-4-ol

Traditional Name

1,13-dimethyl-10-(3-methylbut-2-en-1-yl)-10-azatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,5-trien-4-ol

CAS Registry Number

Not Available

SMILES

CC1C2CC3=CC=C(O)C=C3C1(C)CCN2CC=C(C)C

InChI Identifier

InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3

InChI Key

VOKSWYLNZZRQPF-UHFFFAOYSA-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
Papaver somniferum	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 2,6-dimethyl-3-benzazocines. These are aromatic compounds containing a 6,7-benzomorphan skeleton, which is substituted by methyl group at the 2- and 6-positions.

Kingdom

Organic compounds

Super Class

Alkaloids and derivatives

Class

6,7-benzomorphans

Sub Class

2,6-dimethyl-3-benzazocines

Direct Parent

2,6-dimethyl-3-benzazocines

Alternative Parents

Substituents

2,6-dimethyl-3-benzazocine
4-hydroxy-6,7-benzomorphan
Benzazocine
Tetralin
1-hydroxy-2-unsubstituted benzenoid
Aralkylamine
Piperidine
Benzenoid
Tertiary amine
Tertiary aliphatic amine
Organoheterocyclic compound
Azacycle
Organopnictogen compound
Organic oxygen compound
Amine
Organic nitrogen compound
Organooxygen compound
Organonitrogen compound
Hydrocarbon derivative
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

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	4.44	ALOGPS
logP	3.89	ChemAxon
logS	-3.4	ALOGPS
pKa (Strongest Acidic)	10.42	ChemAxon
pKa (Strongest Basic)	9.57	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	23.47 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	89.8 m³·mol⁻¹	ChemAxon
Polarizability	33.74 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0243543

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

4574

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

4736

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Yelne S, Wanjari MB, Munjewar PK, Malu K, Umate R: A Rare Incidence of Necrotizing Lesion of the Upper Arm Due to Pentazocine Injection Abuse: A Case Report. Cureus. 2022 Jul 20;14(7):e27046. doi: 10.7759/cureus.27046. eCollection 2022 Jul. [PubMed:36000113 ]
Nakano M, Torisu Y, Nakagawa C, Ueda K, Kanai T, Saeki C, Oikawa T, Saruta M: Safety and efficacy of pentazocine-midazolam combination for pain and anxiety relief in radiofrequency ablation therapy for hepatocellular carcinoma. JGH Open. 2022 Jul 17;6(8):569-576. doi: 10.1002/jgh3.12788. eCollection 2022 Aug. [PubMed:35928702 ]
Nweke NA, Anikwe CC, Ewah RL, Umeononihu OS, Eze JN: Analgesic efficacy and safety of paracervical block versus conscious sedation in the surgical evacuation of the uterus following first-trimester incomplete miscarriages: A randomised controlled trial. SAGE Open Med. 2022 Jul 24;10:20503121221113227. doi: 10.1177/20503121221113227. eCollection 2022. [PubMed:35910816 ]
Xie J, Strauss VY, Collins GS, Khalid S, Delmestri A, Turkiewicz A, Englund M, Tadrous M, Reyes C, Prieto-Alhambra D: Trends of Dispensed Opioids in Catalonia, Spain, 2007-19: A Population-Based Cohort Study of Over 5 Million Individuals. Front Pharmacol. 2022 Jun 8;13:912361. doi: 10.3389/fphar.2022.912361. eCollection 2022. [PubMed:35754470 ]
Chiappini S, Vickers-Smith R, Guirguis A, Corkery JM, Martinotti G, Harris DR, Schifano F: Pharmacovigilance Signals of the Opioid Epidemic over 10 Years: Data Mining Methods in the Analysis of Pharmacovigilance Datasets Collecting Adverse Drug Reactions (ADRs) Reported to EudraVigilance (EV) and the FDA Adverse Event Reporting System (FAERS). Pharmaceuticals (Basel). 2022 May 27;15(6):675. doi: 10.3390/ph15060675. [PubMed:35745593 ]
LOTUS database [Link]

Showing NP-Card for pentazocine (NP0164734)

MOL for NP0164734 (pentazocine)

3D MOL for NP0164734 (pentazocine)

3D SDF for NP0164734 (pentazocine)

3D-SDF for NP0164734 (pentazocine)

PDB for NP0164734 (pentazocine)

3D PDB for NP0164734 (pentazocine)

SMILES for NP0164734 (pentazocine)

INCHI for NP0164734 (pentazocine)

Structure for NP0164734 (pentazocine)

3D Structure for NP0164734 (pentazocine)