U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C12H13NO2
Molecular Weight 203.2371
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BICIFADINE CARBOXYLIC ACID

SMILES

OC(=O)C1=CC=C(C=C1)[C@@]23C[C@@H]2CNC3

InChI

InChIKey=YDSXYUALWWNMQW-PWSUYJOCSA-N
InChI=1S/C12H13NO2/c14-11(15)8-1-3-9(4-2-8)12-5-10(12)6-13-7-12/h1-4,10,13H,5-7H2,(H,14,15)/t10-,12+/m1/s1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
BICIFADINE METABOLITE M3
Preferred Name English
BICIFADINE CARBOXYLIC ACID
Common Name English
4-(3-AZABICYCLO(3.1.0)HEX-1-YL)BENZOIC ACID
Systematic Name English
BENZOIC ACID, 4-(3-AZABICYCLO(3.1.0)HEX-1-YL)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID30581539
Created by admin on Wed Apr 02 06:40:43 GMT 2025 , Edited by admin on Wed Apr 02 06:40:43 GMT 2025
PRIMARY
CAS
919288-17-8
Created by admin on Wed Apr 02 06:40:43 GMT 2025 , Edited by admin on Wed Apr 02 06:40:43 GMT 2025
PRIMARY
FDA UNII
TW203MZ0GV
Created by admin on Wed Apr 02 06:40:43 GMT 2025 , Edited by admin on Wed Apr 02 06:40:43 GMT 2025
PRIMARY
PUBCHEM
93022865
Created by admin on Wed Apr 02 06:40:43 GMT 2025 , Edited by admin on Wed Apr 02 06:40:43 GMT 2025
PRIMARY
PARENT (METABOLITE)
Structure of BICIFADINE
NIH
NCATS
PRIVACY NOTICE
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966