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

Details

Stereochemistry RACEMIC
Molecular Formula C8H13NO2
Molecular Weight 155.1943
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISORETRONECANOLIC ACID, (±)-

SMILES

[H][C@@]12CCCN1CC[C@@H]2C(O)=O

InChI

InChIKey=BZYGCNOHXFJSTG-BQBZGAKWSA-N
InChI=1S/C8H13NO2/c10-8(11)6-3-5-9-4-1-2-7(6)9/h6-7H,1-5H2,(H,10,11)/t6-,7-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
ISORETRONECANOLIC ACID, (±)-
Common Name English
1H-PYRROLIZINE-1-CARBOXYLIC ACID, HEXAHYDRO-, (1R,7AR)-REL-
Systematic Name English
Code System Code Type Description
CAS
740025-63-2
Created by admin on Sat Dec 16 15:05:27 GMT 2023 , Edited by admin on Sat Dec 16 15:05:27 GMT 2023
PRIMARY
FDA UNII
D5TGG52JEB
Created by admin on Sat Dec 16 15:05:27 GMT 2023 , Edited by admin on Sat Dec 16 15:05:27 GMT 2023
PRIMARY
PUBCHEM
12304357
Created by admin on Sat Dec 16 15:05:27 GMT 2023 , Edited by admin on Sat Dec 16 15:05:27 GMT 2023
PRIMARY