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CAS Number: 139079-39-3
11-(4-(2-(2-hydroxyethoxy)ethyl)piperazin-1-yl)dibenzo[b,f][1,4]thiazepin-7-ol

Structure

11-(4-(2-(2-hydroxyethoxy)ethyl)piperazin-1-yl)dibenzo[b,f][1,4]thiazepin-7-ol
Name: 11-(4-(2-(2-hydroxyethoxy)ethyl)piperazin-1-yl)dibenzo[b,f][1,4]thiazepin-7-ol
Synonyms:
General Information
Product Number: 139079393

CAS Registry Number 139079-39-3
Name:
Dibenzo[b,​f]​[1,​4]​thiazepin-​7-​ol, 11-​[4-​[2-​(2-​hydroxyethoxy)​ethyl]​-​1-​piperazinyl]​-
7-Hydroxyquetiapine
ICI 214227

 

Chemical Formula: C21H25N3O3S
Exact Mass: 399.16
Molecular Weight: 399.51
m/z: 399.16 (100.0%), 400.17 (23.1%), 401.16 (5.0%), 401.17 (3.2%), 400.16 (1.9%), 402.16 (1.1%)

 

InChI:InChI=1S/C21H25N3O3S/c25-12-14-27-13-11-23-7-9-24(10-8-23)21-17-3-1-2-4-19(17)28-20-15-16(26)5-6-18(20)22-21/h1-6,15,25-26H,7-14H2

InChI Key:VEGVCHRFYPFJFO-UHFFFAOYSA-N

Canonical SMILES:C1CN(CCN1CCOCCO)C2=NC3=C(C=C(C=C3)O)SC4=CC=CC=C42

Specification

98%

References
  1. (1) Li, Kun-Yan; European Journal of Clinical Pharmacology 2005, V60(11), P791-795 CAPLUS
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