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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H19BrN4O2
Molecular Weight 415.284
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl (3S)-7-bromo-2-(methylamino)-5-(2-pyridinyl)-3H-1,4-benzodiazepine-3-propanoate

SMILES

CNC1=NC2=C(C=C(Br)C=C2)C(=N[C@H]1CCC(=O)OC)C3=NC=CC=C3

InChI

InChIKey=WVZUTBGGQYPOAL-INIZCTEOSA-N
InChI=1S/C19H19BrN4O2/c1-21-19-16(8-9-17(25)26-2)23-18(15-5-3-4-10-22-15)13-11-12(20)6-7-14(13)24-19/h3-7,10-11,16H,8-9H2,1-2H3,(H,21,24)/t16-/m0/s1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
Methyl (3S)-7-bromo-2-(methylamino)-5-(2-pyridinyl)-3H-1,4-benzodiazepine-3-propanoate
Systematic Name English
3H-1,4-Benzodiazepine-3-propanoic acid, 7-bromo-2-(methylamino)-5-(2-pyridinyl)-, methyl ester, (3S)-
Preferred Name English
Code System Code Type Description
FDA UNII
VYW58M3AJK
Created by admin on Wed Apr 02 19:53:08 GMT 2025 , Edited by admin on Wed Apr 02 19:53:08 GMT 2025
PRIMARY
CAS
2756110-73-1
Created by admin on Wed Apr 02 19:53:08 GMT 2025 , Edited by admin on Wed Apr 02 19:53:08 GMT 2025
PRIMARY
PUBCHEM
162519665
Created by admin on Wed Apr 02 19:53:08 GMT 2025 , Edited by admin on Wed Apr 02 19:53:08 GMT 2025
PRIMARY
NIH
NCATS
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