Analyte Name

(R)-Methyl 3-(8-Bromo-1-methyl-6-(pyridin-2-yl)-4Hbenzo[f]imidazo [1,2-a][1,4]diazepin-4-yl)propanoate Benzenesulfonate

CAS Number

1449295-46-8

Molecular Formula

C21 H19 Br N4 O2 . C6 H6 O3 S

Molecular Weight

597.48

Accurate Mass

596.073

SMILES

COC(=O)CC[C@H]1N=C(c2ccccn2)c3cc(Br)ccc3n4c(C)cnc14.OS(=O)(=O)c5ccccc5

InChI

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

IUPAC

benzenesulfonic acid;methyl 3-[(4R)-8-bromo-1-methyl-6-pyridin-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepin-4-yl]propanoate

Country of Origin

CANADA

Product Format

Neat