Analyte Name

SAG

CAS Number

912545-86-9

Molecular Formula

C28 H28 Cl N3 O S . 2 Cl H . 2 H2 O

Molecular Weight

599.01

Accurate Mass

597.1386

SMILES

O.O.Cl.Cl.CN[C@@H]1CC[C@H](CC1)N(Cc2cccc(c2)c3ccncc3)C(=O)c4sc5ccccc5c4Cl

InChI

InChI=1S/C28H28ClN3OS.2ClH.2H2O/c1-30-22-9-11-23(12-10-22)32(28(33)27-26(29)24-7-2-3-8-25(24)34-27)18-19-5-4-6-21(17-19)20-13-15-31-16-14-20;;;;/h2-8,13-17,22-23,30H,9-12,18H2,1H3;2*1H;2*1H2/t22-,23-;;;;

IUPAC

3-chloro-N-[4-(methylamino)cyclohexyl]-N-[(3-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide;dihydrate;dihydrochloride

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat