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Details

Stereochemistry ACHIRAL
Molecular Formula C33H43F3N2O2S.2ClH
Molecular Weight 661.689
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

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

SMILES

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

InChI

InChIKey=TXJJOUZHTKNHRD-HRIRWVDGSA-N
InChI=1S/C33H43F3N2O2S.2ClH/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;2*1H/b27-13-;;

HIDE SMILES / InChI

Molecular Formula C33H43F3N2O2S
Molecular Weight 588.767
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:35:25 UTC 2023
Edited
by admin
on Sat Dec 16 12:35:25 UTC 2023
Record UNII
8PQZ1T74MD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FLUPENTIXOL DECANOATE DIHYDROCHLORIDE, (Z)-
Common Name English
DECANOIC ACID, 2-(4-((3Z)-3-(2-(TRIFLUOROMETHYL)-9H-THIOXANTHEN-9-YLIDENE)PROPYL)-1-PIPERAZINYL)ETHYL ESTER, DIHYDROCHLORIDE
Systematic Name English
DECANOIC ACID, 2-(4-((3Z)-3-(2-(TRIFLUOROMETHYL)-9H-THIOXANTHEN-9-YLIDENE)PROPYL)-1-PIPERAZINYL)ETHYL ESTER, HYDROCHLORIDE (1:2)
Systematic Name English
Code System Code Type Description
PUBCHEM
121596434
Created by admin on Sat Dec 16 12:35:25 UTC 2023 , Edited by admin on Sat Dec 16 12:35:25 UTC 2023
PRIMARY
CAS
850808-76-3
Created by admin on Sat Dec 16 12:35:25 UTC 2023 , Edited by admin on Sat Dec 16 12:35:25 UTC 2023
PRIMARY
FDA UNII
8PQZ1T74MD
Created by admin on Sat Dec 16 12:35:25 UTC 2023 , Edited by admin on Sat Dec 16 12:35:25 UTC 2023
PRIMARY