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Details

Stereochemistry ACHIRAL
Molecular Formula C16H17N3
Molecular Weight 251.3263
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RO-5-4964 FREE BASE

SMILES

CN1CCN=C(C2=CC=CC=C2)C3=CC(N)=CC=C13

InChI

InChIKey=AZPXGSJVAWOCMO-UHFFFAOYSA-N
InChI=1S/C16H17N3/c1-19-10-9-18-16(12-5-3-2-4-6-12)14-11-13(17)7-8-15(14)19/h2-8,11H,9-10,17H2,1H3

HIDE SMILES / InChI

Molecular Formula C16H17N3
Molecular Weight 251.3263
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 22:06:45 GMT 2025
Edited
by admin
on Tue Apr 01 22:06:45 GMT 2025
Record UNII
ME7AGD1ROQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RO-5-4964 FREE BASE
Code English
1H-1,4-BENZODIAZEPIN-7-AMINE, 2,3-DIHYDRO-1-METHYL-5-PHENYL-
Preferred Name English
2,3-DIHYDRO-1-METHYL-5-PHENYL-1H-1,4-BENZODIAZEPIN-7-AMINE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID70183177
Created by admin on Tue Apr 01 22:06:45 GMT 2025 , Edited by admin on Tue Apr 01 22:06:45 GMT 2025
PRIMARY
FDA UNII
ME7AGD1ROQ
Created by admin on Tue Apr 01 22:06:45 GMT 2025 , Edited by admin on Tue Apr 01 22:06:45 GMT 2025
PRIMARY
PUBCHEM
17929
Created by admin on Tue Apr 01 22:06:45 GMT 2025 , Edited by admin on Tue Apr 01 22:06:45 GMT 2025
PRIMARY
CAS
2898-06-8
Created by admin on Tue Apr 01 22:06:45 GMT 2025 , Edited by admin on Tue Apr 01 22:06:45 GMT 2025
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT