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Details

Stereochemistry ABSOLUTE
Molecular Formula C14H20N2.2ClH
Molecular Weight 289.244
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

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

SMILES

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

InChI

InChIKey=GZEITIKFRLCEDL-WICJZZOFSA-N
InChI=1S/C14H20N2.2ClH/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;2*1H/t13-,14+;;/m0../s1

HIDE SMILES / InChI

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

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 19:23:15 GMT 2025
Edited
by admin
on Wed Apr 02 19:23:15 GMT 2025
Record UNII
SCC2E6869P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-Benzyloctahydro-1H-pyrrolo[3,4-b]pyridine dihydrochloride, (4AS,7aS)-
Systematic Name English
(4AS,7aS)-6-Benzyloctahydro-1H-pyrrolo[3,4-b]pyridine dihydrochloride
Preferred Name English
(S,S)-6-Benzyl-octahydro-pyrrolo[3,4-b]pyridine dihydrochloride
Systematic Name English
1H-Pyrrolo[3,4-b]pyridine, octahydro-6-(phenylmethyl)-, hydrochloride (1:2), (4aS,7aS)-
Systematic Name English
Code System Code Type Description
CAS
1059609-67-4
Created by admin on Wed Apr 02 19:23:15 GMT 2025 , Edited by admin on Wed Apr 02 19:23:15 GMT 2025
PRIMARY
FDA UNII
SCC2E6869P
Created by admin on Wed Apr 02 19:23:15 GMT 2025 , Edited by admin on Wed Apr 02 19:23:15 GMT 2025
PRIMARY
PUBCHEM
44890943
Created by admin on Wed Apr 02 19:23:15 GMT 2025 , Edited by admin on Wed Apr 02 19:23:15 GMT 2025
PRIMARY
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