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

[H][C@]12C[C@]1(CNC2)C3=CC=C(C=C3)C(O)=O

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

Molecular Formula C12H13NO2
Molecular Weight 203.2371
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:44:10 UTC 2023
Edited
by admin
on Sat Dec 16 15:44:10 UTC 2023
Record UNII
TW203MZ0GV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
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
BICIFADINE METABOLITE M3
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID30581539
Created by admin on Sat Dec 16 15:44:10 UTC 2023 , Edited by admin on Sat Dec 16 15:44:10 UTC 2023
PRIMARY
CAS
919288-17-8
Created by admin on Sat Dec 16 15:44:10 UTC 2023 , Edited by admin on Sat Dec 16 15:44:10 UTC 2023
PRIMARY
FDA UNII
TW203MZ0GV
Created by admin on Sat Dec 16 15:44:10 UTC 2023 , Edited by admin on Sat Dec 16 15:44:10 UTC 2023
PRIMARY
PUBCHEM
93022865
Created by admin on Sat Dec 16 15:44:10 UTC 2023 , Edited by admin on Sat Dec 16 15:44:10 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
FECAL
PARENT -> METABOLITE
FECAL
PARENT -> METABOLITE
URINE