7-Hydroxy Quetiapine Acetate

Analyte Name

7-Hydroxy Quetiapine Acetate

CAS Number

329217-62-1

Molecular Formula

C23H27N3O4S

Molecular Weight

441.54

Accurate Mass

441.17

SMILES

OC1=CC=C2C(SC3=CC=CC=C3C(N4CCN(CCOCCOC(C)=O)CC4)=N2)=C1

InChI

InChI=1S/C23H27N3O4S/c1-17(27)30-15-14-29-13-12-25-8-10-26(11-9-25)23-19-4-2-3-5-21(19)31-22-16-18(28)6-7-20(22)24-23/h2-7,16,28H,8-15H2,1H3

IUPAC

2-(2-(4-(7-hydroxydibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl)ethoxy)ethyl acetate

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Purity

>95% (HPLC)