U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C22H25ClN2OS
Molecular Weight 400.965
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of CLOPENTHIXOL, TRANS

SMILES

OCCN1CCN(CC\C=C2/C3=CC=CC=C3SC4=CC=C(Cl)C=C24)CC1

InChI

InChIKey=WFPIAZLQTJBIFN-BLLMUTORSA-N
InChI=1S/C22H25ClN2OS/c23-17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)27-22)5-3-9-24-10-12-25(13-11-24)14-15-26/h1-2,4-8,16,26H,3,9-15H2/b18-5+

HIDE SMILES / InChI

Approval Year

Name Type Language
CLOPENTHIXOL, TRANS
Common Name English
1-PIPERAZINEETHANOL, 4-((3E)-3-(2-CHLORO-9H-THIOXANTHEN-9-YLIDENE)PROPYL)-
Systematic Name English
TRANS-CLOPENTHIXOL
Common Name English
(E)-CLOPENTHIXOL
Common Name English
.BETA.-CLOPENTHIXOL
Common Name English
Code System Code Type Description
EPA CompTox
53772-84-2
Created by admin on Tue Mar 06 11:31:03 UTC 2018 , Edited by admin on Tue Mar 06 11:31:03 UTC 2018
PRIMARY
PUBCHEM
5372683
Created by admin on Tue Mar 06 11:31:03 UTC 2018 , Edited by admin on Tue Mar 06 11:31:03 UTC 2018
PRIMARY SWITZERF
NCI_THESAURUS
C81091
Created by admin on Tue Mar 06 11:31:03 UTC 2018 , Edited by admin on Tue Mar 06 11:31:03 UTC 2018
PRIMARY
CAS
53772-84-2
Created by admin on Tue Mar 06 11:31:03 UTC 2018 , Edited by admin on Tue Mar 06 11:31:03 UTC 2018
PRIMARY