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

Details

Stereochemistry ABSOLUTE
Molecular Formula C15H19NO2.ClH
Molecular Weight 281.778
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CYCLOPENTA(B)PYRROLE-2-CARBOXYLIC ACID, OCTAHYDRO-, PHENYLMETHYL ESTER, HYDROCHLORIDE (1:1), (2S,3AR,6AR)-

SMILES

Cl.O=C(OCC1=CC=CC=C1)[C@@H]2C[C@@H]3CCC[C@@H]3N2

InChI

InChIKey=HLXCXOQXUDRJLF-JKBZPBJLSA-N
InChI=1S/C15H19NO2.ClH/c17-15(18-10-11-5-2-1-3-6-11)14-9-12-7-4-8-13(12)16-14;/h1-3,5-6,12-14,16H,4,7-10H2;1H/t12-,13-,14-;/m0./s1

HIDE SMILES / InChI

Molecular Formula C15H19NO2
Molecular Weight 245.3169
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 22:37:43 GMT 2025
Edited
by admin
on Tue Apr 01 22:37:43 GMT 2025
Record UNII
38HKS9C1WM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CYCLOPENTA(B)PYRROLE-2-CARBOXYLIC ACID, OCTAHYDRO-, PHENYLMETHYL ESTER, HYDROCHLORIDE (1:1), (2S,3AR,6AR)-
Preferred Name English
Code System Code Type Description
CAS
1279035-95-8
Created by admin on Tue Apr 01 22:37:43 GMT 2025 , Edited by admin on Tue Apr 01 22:37:43 GMT 2025
PRIMARY
FDA UNII
38HKS9C1WM
Created by admin on Tue Apr 01 22:37:43 GMT 2025 , Edited by admin on Tue Apr 01 22:37:43 GMT 2025
PRIMARY
PUBCHEM
13216857
Created by admin on Tue Apr 01 22:37:43 GMT 2025 , Edited by admin on Tue Apr 01 22:37:43 GMT 2025
PRIMARY