NP-MRD: Showing NP-Card for 4-methoxy-3-{8-methyl-8-azabicyclo[3.2.1]octan-3-yl}benzoic acid (NP0147887)

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Record Information

Version

2.0

Created at

2022-09-02 03:34:21 UTC

Updated at

2022-09-02 03:34:21 UTC

NP-MRD ID

NP0147887

Secondary Accession Numbers

None

Natural Product Identification

Common Name

4-methoxy-3-{8-methyl-8-azabicyclo[3.2.1]octan-3-yl}benzoic acid

Description

Datumetine belongs to the class of organic compounds known as phenyltropanes. Phenyltropanes are compounds containing a phenyl group linked to a tropane moiety. Tropane is an organonitrogenous [3.2.1] Bicyclic organic compound. 4-methoxy-3-{8-methyl-8-azabicyclo[3.2.1]octan-3-yl}benzoic acid is found in Datura metel. 4-methoxy-3-{8-methyl-8-azabicyclo[3.2.1]octan-3-yl}benzoic acid was first documented in 2005 (PMID: 15922373). Based on a literature review a small amount of articles have been published on Datumetine (PMID: 34150523) (PMID: 32847421).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 41 43  0  0  0  0  0  0  0  0999 V2000
    1.3613   -3.8172    1.2928 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0211   -2.6878    0.5532 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4954   -1.4182    0.8202 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3577   -1.2683    1.8846 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8319   -0.0007    2.1507 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4658    1.1075    1.3830 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9622    2.4331    1.6621 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6140    3.4096    0.9525 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8343    2.6285    2.7269 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6009    0.9377    0.3210 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1274   -0.3018    0.0484 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1934   -0.5818   -1.0560 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0764    0.4881   -2.0205 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4399    1.1389   -1.9465 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.7062    1.8924   -0.6917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0620    0.8298    0.3261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2760   -0.3929   -0.5694 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0278   -1.2267   -0.4415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4364    0.0910   -1.9051 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7756    0.6288   -2.0640 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4262   -4.0626    1.0640 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2438   -3.6774    2.3982 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7585   -4.6690    0.9248 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6826   -2.0810    2.5199 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5060    0.1477    2.9747 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8098    2.4473    2.6249 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3112    1.7771   -0.2731 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7004   -1.4292   -1.6213 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6528    1.3185   -2.0859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0546    0.0802   -3.0893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6086    1.7822   -2.8222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6616    2.4670   -0.8610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9336    2.5870   -0.3656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2159    0.6833    1.0280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9650    1.0757    0.9087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1384   -0.9896   -0.2362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2662   -2.2208   -0.8772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8987   -1.4000    0.6515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7581    1.6284   -2.5376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2764    0.6889   -1.0656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3792   -0.0438   -2.6870 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
  6  7  1  0
  7  9  1  0
  7  8  2  0
 11  3  1  0
 18 12  1  0
 19 14  1  0
  1 21  1  0
  1 22  1  0
  1 23  1  0
  4 24  1  0
  5 25  1  0
 10 27  1  0
 12 28  1  6
 13 29  1  0
 13 30  1  0
 14 31  1  6
 15 32  1  0
 15 33  1  0
 16 34  1  0
 16 35  1  0
 17 36  1  1
 18 37  1  0
 18 38  1  0
 20 39  1  0
 20 40  1  0
 20 41  1  0
  9 26  1  0
M  END


  Mrv1652309022205342D          

 20 22  0  0  0  0            999 V2000
    2.7880    2.0653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6130    2.0653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0255    1.3508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8505    1.3508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2630    0.6363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8505   -0.0781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2630   -0.7926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0880   -0.7926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8505   -1.5071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0255   -0.0781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6130    0.6363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7880    0.6363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4300    1.3796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6257    1.5632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9807    1.0488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9807    0.2238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6257   -0.2905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4300   -0.1070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3940    0.6363    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5690    0.6363    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
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  2  0  0  0  0
  3 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 12 18  1  0  0  0  0
 17 19  1  0  0  0  0
 14 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0147887

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC=C(C=C1C1CC2CCC(C1)N2C)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C16H21NO3/c1-17-12-4-5-13(17)8-11(7-12)14-9-10(16(18)19)3-6-15(14)20-2/h3,6,9,11-13H,4-5,7-8H2,1-2H3,(H,18,19)

> <INCHI_KEY>
CMMJWJKGQZIJPB-UHFFFAOYSA-N

> <FORMULA>
C16H21NO3

> <MOLECULAR_WEIGHT>
275.348

> <EXACT_MASS>
275.15214354

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
41

> <JCHEM_AVERAGE_POLARIZABILITY>
30.220123362222957

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
4-methoxy-3-{8-methyl-8-azabicyclo[3.2.1]octan-3-yl}benzoic acid

> <ALOGPS_LOGP>
2.74

> <JCHEM_LOGP>
-0.24405594388064397

> <ALOGPS_LOGS>
-2.91

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.15807300182834

> <JCHEM_PKA_STRONGEST_BASIC>
9.363586185564602

> <JCHEM_POLAR_SURFACE_AREA>
49.77

> <JCHEM_REFRACTIVITY>
77.37450000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.36e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4-methoxy-3-{8-methyl-8-azabicyclo[3.2.1]octan-3-yl}benzoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 02-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   02-SEP-22         0                                  
HETATM    1  C   UNK     0       5.204   3.855   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       6.744   3.855   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       7.514   2.522   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       9.054   2.522   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       9.824   1.188   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       9.054  -0.146   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       9.824  -1.480   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      11.364  -1.480   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0       9.054  -2.813   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       7.514  -0.146   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       6.744   1.188   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       5.204   1.188   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       4.536   2.575   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       3.035   2.918   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.831   1.958   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       1.831   0.418   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       3.035  -0.542   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       4.536  -0.200   0.000  0.00  0.00           C+0
HETATM   19  N   UNK     0       2.602   1.188   0.000  0.00  0.00           N+0
HETATM   20  C   UNK     0       1.062   1.188   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   11                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   10                                                  
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7                                                            
CONECT   10    6   11                                                       
CONECT   11   10    3   12                                                  
CONECT   12   11   13   18                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15   19                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17   12                                                       
CONECT   19   17   14   20                                                  
CONECT   20   19                                                            
MASTER        0    0    0    0    0    0    0    0   20    0   44    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₆H₂₁NO₃

Average Mass

275.3480 Da

Monoisotopic Mass

275.15214 Da

IUPAC Name

4-methoxy-3-{8-methyl-8-azabicyclo[3.2.1]octan-3-yl}benzoic acid

Traditional Name

4-methoxy-3-{8-methyl-8-azabicyclo[3.2.1]octan-3-yl}benzoic acid

CAS Registry Number

Not Available

SMILES

COC1=CC=C(C=C1C1CC2CCC(C1)N2C)C(O)=O

InChI Identifier

InChI=1S/C16H21NO3/c1-17-12-4-5-13(17)8-11(7-12)14-9-10(16(18)19)3-6-15(14)20-2/h3,6,9,11-13H,4-5,7-8H2,1-2H3,(H,18,19)

InChI Key

CMMJWJKGQZIJPB-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
Datura metel	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as phenyltropanes. Phenyltropanes are compounds containing a phenyl group linked to a tropane moiety. Tropane is an organonitrogenous [3.2.1] Bicyclic organic compound.

Kingdom

Organic compounds

Super Class

Alkaloids and derivatives

Class

Tropane alkaloids

Sub Class

Phenyltropanes

Direct Parent

Phenyltropanes

Alternative Parents

Substituents

Phenyltropane
Phenylpiperidine
P-methoxybenzoic acid or derivatives
Benzoic acid
Benzoic acid or derivatives
Phenoxy compound
Methoxybenzene
Phenol ether
Benzoyl
Anisole
Aralkylamine
Alkyl aryl ether
Benzenoid
N-alkylpyrrolidine
Piperidine
Monocyclic benzene moiety
Pyrrolidine
Amino acid
Tertiary aliphatic amine
Tertiary amine
Amino acid or derivatives
Azacycle
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Ether
Carboxylic acid
Carboxylic acid derivative
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Amine
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	2.74	ALOGPS
logP	-0.24	ChemAxon
logS	-2.9	ALOGPS
pKa (Strongest Acidic)	4.16	ChemAxon
pKa (Strongest Basic)	9.36	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	49.77 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	77.37 m³·mol⁻¹	ChemAxon
Polarizability	30.22 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	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

158188

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Datumetine

METLIN ID

Not Available

PubChem Compound

181868

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Jenett-Siems K, Weigl R, Bohm A, Mann P, Tofern-Reblin B, Ott SC, Ghomian A, Kaloga M, Siems K, Witte L, Hilker M, Muller F, Eich E: Chemotaxonomy of the pantropical genus Merremia (Convolvulaceae) based on the distribution of tropane alkaloids. Phytochemistry. 2005 Jun;66(12):1448-64. doi: 10.1016/j.phytochem.2005.04.027. [PubMed:15922373 ]
Ishola AO, Imam A, Ajao MS: Effects of datumetine on hippocampal NMDAR activity. Toxicol Rep. 2021 May 24;8:1131-1142. doi: 10.1016/j.toxrep.2021.05.009. eCollection 2021. [PubMed:34150523 ]
Ishola AO, Imam A, Ajao MS: Datumetine exposure alters hippocampal neurotransmitters system in C57BL/6 mice. Drug Chem Toxicol. 2022 Mar;45(2):785-798. doi: 10.1080/01480545.2020.1776315. Epub 2020 Aug 26. [PubMed:32847421 ]
LOTUS database [Link]

Showing NP-Card for 4-methoxy-3-{8-methyl-8-azabicyclo[3.2.1]octan-3-yl}benzoic acid (NP0147887)

MOL for NP0147887 (4-methoxy-3-{8-methyl-8-azabicyclo[3.2.1]octan-3-yl}benzoic acid)

3D MOL for NP0147887 (4-methoxy-3-{8-methyl-8-azabicyclo[3.2.1]octan-3-yl}benzoic acid)

3D SDF for NP0147887 (4-methoxy-3-{8-methyl-8-azabicyclo[3.2.1]octan-3-yl}benzoic acid)

3D-SDF for NP0147887 (4-methoxy-3-{8-methyl-8-azabicyclo[3.2.1]octan-3-yl}benzoic acid)

PDB for NP0147887 (4-methoxy-3-{8-methyl-8-azabicyclo[3.2.1]octan-3-yl}benzoic acid)

3D PDB for NP0147887 (4-methoxy-3-{8-methyl-8-azabicyclo[3.2.1]octan-3-yl}benzoic acid)

SMILES for NP0147887 (4-methoxy-3-{8-methyl-8-azabicyclo[3.2.1]octan-3-yl}benzoic acid)

INCHI for NP0147887 (4-methoxy-3-{8-methyl-8-azabicyclo[3.2.1]octan-3-yl}benzoic acid)

Structure for NP0147887 (4-methoxy-3-{8-methyl-8-azabicyclo[3.2.1]octan-3-yl}benzoic acid)

3D Structure for NP0147887 (4-methoxy-3-{8-methyl-8-azabicyclo[3.2.1]octan-3-yl}benzoic acid)