Analyte Name

2-[2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]ethoxy]ethanol Fumarate

CAS Number

1356906-16-5

Molecular Formula

C23H29N3O3S • C4H4O4

Molecular Weight

543.63

Accurate Mass

543.2

SMILES

OCCOCCOCCN1CCN(C2=NC3=C(SC4=C2C=CC=C4)C=CC=C3)CC1.O=C(O)/C=C/C(O)=O

InChI

InChI=1S/C23H29N3O3S.C4H4O4/c27-14-16-29-18-17-28-15-13-25-9-11-26(12-10-25)23-19-5-1-3-7-21(19)30-22-8-4-2-6-20(22)24-23;5-3(6)1-2-4(7)8/h1-8,27H,9-18H2;1-2H,(H,5,6)(H,7,8)/b;2-1+

IUPAC

2-(2-(2-(4-(dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl)ethoxy)ethoxy)ethan-1-ol fumarate

Alternate CAS Number

Free Base: 329216-69-5

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat