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Details

Stereochemistry ACHIRAL
Molecular Formula C24H27ClN2O2S
Molecular Weight 443.001
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of CLOPENTHIXOL ACETATE ESTER, TRANS

SMILES

CC(=O)OCCN1CCN(CC\C=C2/C3=C(SC4=C2C=C(Cl)C=C4)C=CC=C3)CC1

InChI

InChIKey=OXAUOBQMCDIVPQ-CGOBSMCZSA-N
InChI=1S/C24H27ClN2O2S/c1-18(28)29-16-15-27-13-11-26(12-14-27)10-4-6-20-21-5-2-3-7-23(21)30-24-9-8-19(25)17-22(20)24/h2-3,5-9,17H,4,10-16H2,1H3/b20-6+

HIDE SMILES / InChI

Molecular Formula C24H27ClN2O2S
Molecular Weight 443.001
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 Sat Dec 16 08:37:53 GMT 2023
Edited
by admin
on Sat Dec 16 08:37:53 GMT 2023
Record UNII
4F6L1UPD3A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CLOPENTHIXOL ACETATE ESTER, TRANS
Common Name English
(E)-2-(4-(3-(2-CHLORO-9H-THIOXANTHEN-9-YLIDENE)PROPYL)PIPERAZIN-1-YL)ETHYL ACETATE
Systematic Name English
1-PIPERAZINEETHANOL, 4-(3-(2-CHLORO-9H-THIOXANTHEN-9-YLIDENE)PROPYL)-, 1-ACETATE, (E)-
Systematic Name English
Code System Code Type Description
FDA UNII
4F6L1UPD3A
Created by admin on Sat Dec 16 08:37:53 GMT 2023 , Edited by admin on Sat Dec 16 08:37:53 GMT 2023
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PUBCHEM
5474911
Created by admin on Sat Dec 16 08:37:53 GMT 2023 , Edited by admin on Sat Dec 16 08:37:53 GMT 2023
PRIMARY