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

Details

Stereochemistry ABSOLUTE
Molecular Formula C14H20N2
Molecular Weight 216.322
Optical Activity ( - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-Benzyloctahydro-1H-pyrrolo[3,4-b]pyridine, (4aR,7aR)-

SMILES

C(N1C[C@H]2CCCN[C@H]2C1)C3=CC=CC=C3

InChI

InChIKey=AFYZAHZKOFBVLE-KGLIPLIRSA-N
InChI=1S/C14H20N2/c1-2-5-12(6-3-1)9-16-10-13-7-4-8-15-14(13)11-16/h1-3,5-6,13-15H,4,7-11H2/t13-,14+/m1/s1

HIDE SMILES / InChI

Molecular Formula C14H20N2
Molecular Weight 216.322
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 19:34:03 GMT 2025
Edited
by admin
on Wed Apr 02 19:34:03 GMT 2025
Record UNII
A5SGK4HU3P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-Benzyloctahydro-1H-pyrrolo[3,4-b]pyridine, (4aR,7aR)-
Systematic Name English
(4aR,7aR)-6-Benzyloctahydro-1H-pyrrolo[3,4-b]pyridine
Preferred Name English
(4aR,7aR)-Octahydro-6-(phenylmethyl)-1H-pyrrolo[3,4-b]pyridine
Systematic Name English
(R,R)-8-Benzyl-2,8-diazabicyclo[4.3.0]nonane
Systematic Name English
1H-Pyrrolo[3,4-b]pyridine, octahydro-6-(phenylmethyl)-, (4aR,7aR)-
Systematic Name English
1H-Pyrrolo[3,4-b]pyridine, octahydro-6-(phenylmethyl)-, (4aR-cis)-
Systematic Name English
Code System Code Type Description
CAS
151213-43-3
Created by admin on Wed Apr 02 19:34:03 GMT 2025 , Edited by admin on Wed Apr 02 19:34:03 GMT 2025
PRIMARY
EPA CompTox
DTXSID70364040
Created by admin on Wed Apr 02 19:34:03 GMT 2025 , Edited by admin on Wed Apr 02 19:34:03 GMT 2025
PRIMARY
PUBCHEM
1519433
Created by admin on Wed Apr 02 19:34:03 GMT 2025 , Edited by admin on Wed Apr 02 19:34:03 GMT 2025
PRIMARY
FDA UNII
A5SGK4HU3P
Created by admin on Wed Apr 02 19:34:03 GMT 2025 , Edited by admin on Wed Apr 02 19:34:03 GMT 2025
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT