N-Chloromethyl Olanzapine Chloride

Analyte Name

1-(Chloromethyl)-1-methyl-4-(2-methyl-10H-thieno[2,3-b][1,5]benzodiazepin-4-yl)piperazin-1-ium Chloride (Olanzapine-N-Chloromethyl Chloride)

CAS Number

719300-59-1

Molecular Formula

C18 H22 Cl N4 S . Cl

Molecular Weight

397.37

Accurate Mass

396.0942

SMILES

[Cl-].Cc1cc2C(=Nc3ccccc3Nc2s1)N4CC[N+](C)(CCl)CC4

InChI

/h3-6,11,21H,7-10,12H2,1-2H3, /p-1, 1H/q+1, InChI=1S/C18H22ClN4S.ClH/c1-13-11-14-17(22-7-9-23(2,12-19)10-8-22)20-15-5-3-4-6-16(15)21-18(14)24-13

IUPAC

4-[4-(chloromethyl)-4-methylpiperazin-4-ium-1-yl]-2-methyl-10H-thieno[2,3-b][1,5]benzodiazepine;chloride

Alternate CAS Number

Free base: 735264-27-4

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat

API Family

Olanzapine

Purity

>95% (HPLC)