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

Details

Stereochemistry ACHIRAL
Molecular Formula C33H43F3N2O2S
Molecular Weight 588.767
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of FLUPENTIXOL DECANOATE, (E)-

SMILES

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

InChI

InChIKey=UIKWDDSLMBHIFT-UVHMKAGCSA-N
InChI=1S/C33H43F3N2O2S/c1-2-3-4-5-6-7-8-15-32(39)40-24-23-38-21-19-37(20-22-38)18-11-13-27-28-12-9-10-14-30(28)41-31-17-16-26(25-29(27)31)33(34,35)36/h9-10,12-14,16-17,25H,2-8,11,15,18-24H2,1H3/b27-13+

HIDE SMILES / InChI

Approval Year

Name Type Language
FLUPENTIXOL DECANOATE, (E)-
Common Name English
DECANOIC ACID, 2-(4-(3-(2-(TRIFLUOROMETHYL)-9H-THIOXANTHEN-9-YLIDENE)PROPYL)-1-PIPERAZINYL)ETHYL ESTER, (E)-
Systematic Name English
DECANOIC ACID, 2-(4-((3E)-3-(2-(TRIFLUOROMETHYL)-9H-THIOXANTHEN-9-YLIDENE)PROPYL)-1-PIPERAZINYL)ETHYL ESTER
Systematic Name English
Code System Code Type Description
FDA UNII
55IRH67U29
Created by admin on Fri Dec 15 15:22:51 GMT 2023 , Edited by admin on Fri Dec 15 15:22:51 GMT 2023
PRIMARY
PUBCHEM
6434100
Created by admin on Fri Dec 15 15:22:51 GMT 2023 , Edited by admin on Fri Dec 15 15:22:51 GMT 2023
PRIMARY
CAS
201213-08-3
Created by admin on Fri Dec 15 15:22:51 GMT 2023 , Edited by admin on Fri Dec 15 15:22:51 GMT 2023
PRIMARY