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Details

Stereochemistry ABSOLUTE
Molecular Formula C14H20N2.2ClH
Molecular Weight 289.244
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 dihydrochloride, (4aR,7aR)-

SMILES

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

InChI

InChIKey=GZEITIKFRLCEDL-BQFBZIMZSA-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+;;/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

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 Wed Apr 02 19:22:41 GMT 2025
Edited
by admin
on Wed Apr 02 19:22:41 GMT 2025
Record UNII
B7R9M7NK4M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(R,R)-6-Benzyloctahydropyrrolo[3,4-b]pyridine dihydrochloride
Preferred Name English
6-Benzyloctahydro-1H-pyrrolo[3,4-b]pyridine dihydrochloride, (4aR,7aR)-
Systematic Name English
1H-Pyrrolo[3,4-b]pyridine, octahydro-6-(phenylmethyl)-, hydrochloride (1:2), (4aR,7aR)-
Systematic Name English
Code System Code Type Description
FDA UNII
B7R9M7NK4M
Created by admin on Wed Apr 02 19:22:41 GMT 2025 , Edited by admin on Wed Apr 02 19:22:41 GMT 2025
PRIMARY
CAS
1149340-39-5
Created by admin on Wed Apr 02 19:22:41 GMT 2025 , Edited by admin on Wed Apr 02 19:22:41 GMT 2025
PRIMARY
EPA CompTox
DTXSID90661548
Created by admin on Wed Apr 02 19:22:41 GMT 2025 , Edited by admin on Wed Apr 02 19:22:41 GMT 2025
PRIMARY
PUBCHEM
44891225
Created by admin on Wed Apr 02 19:22:41 GMT 2025 , Edited by admin on Wed Apr 02 19:22:41 GMT 2025
PRIMARY
Related Record Type Details
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