Analyte Name

Quetiapine fumarate

CAS Number

111974-72-2

Molecular Formula

2 C21 H25 N3 O2 S . C4 H4 O4

Molecular Weight

883.09

Accurate Mass

882.3445

SMILES

OCCOCCN1CCN(CC1)C2=Nc3ccccc3Sc4ccccc24.OCCOCCN5CCN(CC5)C6=Nc7ccccc7Sc8ccccc68.OC(=O)\C=C\C(=O)O

InChI

InChI=1S/2C21H25N3O2S.C4H4O4/c2*25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21;5-3(6)1-2-4(7)8/h2*1-8,25H,9-16H2;1-2H,(H,5,6)(H,7,8)/b;;2-1+

IUPAC

2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethanol;(E)-but-2-enedioic acid

Alternate CAS Number

Free base: 111974-69-7

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

JAPAN

Product Type

API

Product Format

Neat

API Family

Quetiapine Fumarate