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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H19BrN4O2.C6H6O3S
Molecular Weight 597.48
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl (4R)-8-bromo-1-methyl-6-(2-pyridinyl)-4H-imidazo[1,2-a][1,4]benzodiazepine-4-propanoate benzenesulfonate

SMILES

OS(=O)(=O)C1=CC=CC=C1.COC(=O)CC[C@H]2N=C(C3=NC=CC=C3)C4=C(C=CC(Br)=C4)N5C(C)=CN=C25

InChI

InChIKey=QMTKNJZIWGTNTE-UNTBIKODSA-N
InChI=1S/C21H19BrN4O2.C6H6O3S/c1-13-12-24-21-17(7-9-19(27)28-2)25-20(16-5-3-4-10-23-16)15-11-14(22)6-8-18(15)26(13)21;7-10(8,9)6-4-2-1-3-5-6/h3-6,8,10-12,17H,7,9H2,1-2H3;1-5H,(H,7,8,9)/t17-;/m1./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
(R)-Methyl 3-(8-Bromo-1-methyl-6-(pyridin-2-yl)-4Hbenzo[f]imidazo [1,2-a][1,4]diazepin-4-yl)propanoate benzenesulfonate
Preferred Name English
Methyl (4R)-8-bromo-1-methyl-6-(2-pyridinyl)-4H-imidazo[1,2-a][1,4]benzodiazepine-4-propanoate benzenesulfonate
Systematic Name English
4H-Imidazo[1,2-a][1,4]benzodiazepine-4-propanoic acid, 8-bromo-1-methyl-6-(2-pyridinyl)-, methyl ester, (4R)-, benzenesulfonate
Systematic Name English
Methyl 3-(8-Bromo-1-methyl-6-(pyridin-2-yl)-4Hbenzo[f]imidazo [1,2-a][1,4]diazepin-4-yl)propanoate benzenesulfonate, (R)-
Systematic Name English
Code System Code Type Description
CAS
1449295-46-8
Created by admin on Wed Apr 02 19:16:45 GMT 2025 , Edited by admin on Wed Apr 02 19:16:45 GMT 2025
PRIMARY
PUBCHEM
169444128
Created by admin on Wed Apr 02 19:16:45 GMT 2025 , Edited by admin on Wed Apr 02 19:16:45 GMT 2025
PRIMARY
FDA UNII
P7U2PVA882
Created by admin on Wed Apr 02 19:16:45 GMT 2025 , Edited by admin on Wed Apr 02 19:16:45 GMT 2025
PRIMARY