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Details

Stereochemistry ACHIRAL
Molecular Formula C16H17N3.2ClH
Molecular Weight 324.248
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RO-5-4964

SMILES

Cl.Cl.CN1CCN=C(C2=CC=CC=C2)C3=C1C=CC(N)=C3

InChI

InChIKey=UEMYPZPYBIBIBL-UHFFFAOYSA-N
InChI=1S/C16H17N3.2ClH/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;2*1H

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

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 Fri Dec 15 15:01:14 GMT 2023
Edited
by admin
on Fri Dec 15 15:01:14 GMT 2023
Record UNII
W9YR26JT6K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RO-5-4964
Code English
1H-1,4-BENZODIAZEPIN-7-AMINE, 2,3-DIHYDRO-1-METHYL-5-PHENYL-, HYDROCHLORIDE (1:2)
Systematic Name English
Code System Code Type Description
CAS
5940-30-7
Created by admin on Fri Dec 15 15:01:14 GMT 2023 , Edited by admin on Fri Dec 15 15:01:14 GMT 2023
PRIMARY
PUBCHEM
21508834
Created by admin on Fri Dec 15 15:01:14 GMT 2023 , Edited by admin on Fri Dec 15 15:01:14 GMT 2023
PRIMARY
FDA UNII
W9YR26JT6K
Created by admin on Fri Dec 15 15:01:14 GMT 2023 , Edited by admin on Fri Dec 15 15:01:14 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE