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Details

Stereochemistry ACHIRAL
Molecular Formula C22H25ClN2OS
Molecular Weight 400.965
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of CLOPENTHIXOL, TRANS

SMILES

OCCN1CCN(CC\C=C2/C3=C(SC4=C2C=C(Cl)C=C4)C=CC=C3)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

Molecular Formula C22H25ClN2OS
Molecular Weight 400.965
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:14:51 UTC 2023
Edited
by admin
on Fri Dec 15 16:14:51 UTC 2023
Record UNII
FLE878A8ZI
Record Status Validated (UNII)
Record Version
  • Download
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
Classification Tree Code System Code
NCI_THESAURUS C66883
Created by admin on Fri Dec 15 16:14:51 UTC 2023 , Edited by admin on Fri Dec 15 16:14:51 UTC 2023
Code System Code Type Description
EPA CompTox
DTXSID90110026
Created by admin on Fri Dec 15 16:14:51 UTC 2023 , Edited by admin on Fri Dec 15 16:14:51 UTC 2023
PRIMARY
PUBCHEM
5372683
Created by admin on Fri Dec 15 16:14:51 UTC 2023 , Edited by admin on Fri Dec 15 16:14:51 UTC 2023
PRIMARY
NCI_THESAURUS
C81091
Created by admin on Fri Dec 15 16:14:51 UTC 2023 , Edited by admin on Fri Dec 15 16:14:51 UTC 2023
PRIMARY
CAS
53772-84-2
Created by admin on Fri Dec 15 16:14:51 UTC 2023 , Edited by admin on Fri Dec 15 16:14:51 UTC 2023
PRIMARY
FDA UNII
FLE878A8ZI
Created by admin on Fri Dec 15 16:14:51 UTC 2023 , Edited by admin on Fri Dec 15 16:14:51 UTC 2023
PRIMARY
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