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

OC(=O)[C@H]1CCN2CCC[C@@H]12

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

Molecular Formula C8H13NO2
Molecular Weight 155.1943
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 Wed Apr 02 03:41:52 GMT 2025
Edited
by admin
on Wed Apr 02 03:41:52 GMT 2025
Record UNII
D5TGG52JEB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1H-PYRROLIZINE-1-CARBOXYLIC ACID, HEXAHYDRO-, (1R,7AR)-REL-
Preferred Name English
ISORETRONECANOLIC ACID, (±)-
Common Name English
Code System Code Type Description
CAS
740025-63-2
Created by admin on Wed Apr 02 03:41:52 GMT 2025 , Edited by admin on Wed Apr 02 03:41:52 GMT 2025
PRIMARY
FDA UNII
D5TGG52JEB
Created by admin on Wed Apr 02 03:41:52 GMT 2025 , Edited by admin on Wed Apr 02 03:41:52 GMT 2025
PRIMARY