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Details

Stereochemistry RACEMIC
Molecular Formula C20H24N2
Molecular Weight 292.418
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ro-035939 free base

SMILES

CNCC[C@@H]1[C@@H](C)C2=CC=CC3=C2N1C4=CC=CC=C4CC3

InChI

InChIKey=CRUKEDNIFQWKEO-KBXCAEBGSA-N
InChI=1S/C20H24N2/c1-14-17-8-5-7-16-11-10-15-6-3-4-9-19(15)22(20(16)17)18(14)12-13-21-2/h3-9,14,18,21H,10-13H2,1-2H3/t14-,18+/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H24N2
Molecular Weight 292.418
Charge 0
Count
Stereochemistry RACEMIC
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 21:25:33 GMT 2025
Edited
by admin
on Wed Apr 02 21:25:33 GMT 2025
Record UNII
Q362RQ92NG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RO 03-5939 free base
Preferred Name English
Ro-035939 free base
Code English
Indolo[1,7-ab][1]benzazepine-1-ethanamine, 1,2,6,7-tetrahydro-N,2-dimethyl-, trans-
Systematic Name English
RO 03-5939/001
Code English
Code System Code Type Description
FDA UNII
Q362RQ92NG
Created by admin on Wed Apr 02 21:25:33 GMT 2025 , Edited by admin on Wed Apr 02 21:25:33 GMT 2025
PRIMARY
CAS
748081-77-8
Created by admin on Wed Apr 02 21:25:33 GMT 2025 , Edited by admin on Wed Apr 02 21:25:33 GMT 2025
NON-SPECIFIC STEREOCHEMISTRY
CAS
57611-30-0
Created by admin on Wed Apr 02 21:25:33 GMT 2025 , Edited by admin on Wed Apr 02 21:25:33 GMT 2025
PRIMARY
PUBCHEM
53736851
Created by admin on Wed Apr 02 21:25:33 GMT 2025 , Edited by admin on Wed Apr 02 21:25:33 GMT 2025
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
Based on impramine
TARGET -> INHIBITOR
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY