Compound Summary
Compound Information
Flupenthixol dihydrochloride
Compound Name: | Flupenthixol dihydrochloride |
Compound CID: | 5282483 |
Synonyms: | Flupenthixol dihydrochloride 51529-01-2 Emergil cis-(Z)-Flupenthixol dihydrochloride FLUPENTIXOL DIHYDROCHLORIDE More... |
Iupac Name: | 2-[4-[(3Z)-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol;dihydrochloride |
InChI: | InChI=1S/C23H25F3N2OS.2ClH/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29;;/h1-2,4-8,16,29H,3,9-15H2;2*1H/b18-5-;; |
InChIKey: | IOVDQEIIMOZNNA-MHKBYHAFSA-N |
Canonical Smiles: | C1CN(CCN1CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCO.Cl.Cl |
Isomeric Smiles: | C1CN(CCN1CC/C=C\2/C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCO.Cl.Cl |
Molecular Weight: | 507.4 |
Molecular Formula: | C23H27Cl2F3N2OS |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Flupenthixol dihydrochloride
Molecular Weight: | 507.4 |
Molecular Formula: | C23H27Cl2F3N2OS |
Hydrogen Bond Donor Count: | 3 |
Hydrogen Bond Acceptor Count: | 7 |
Rotatable Bond Count: | 5 |
Heavy Atom Count: | 32 |
Complexity: | 592 |
Synonyms
Flupenthixol dihydrochloride
| Flupenthixol dihydrochloride | Flupenthixol dihydrochloride |
|---|---|
Flupenthixol dihydrochloride |
51529-01-2 |
Emergil |
cis-(Z)-Flupenthixol dihydrochloride |
FLUPENTIXOL DIHYDROCHLORIDE |
2413-38-9 |
Flupentixol HCl |
cis-(Z)-Flupentixol Dihydrochloride |
Fupentixol dihydrochloride |
(Z)-Flupenthixol dihydrochloride |
Flupenthixol 2HCl |
UNII-96L0Z069N1 |
Flupenthixol, dihydrochloride |
(E/Z)-Flupentixol Dihydrochloride |
(Z)-flupentixol dihydrochloride |
FX 703 |
Flupentixol dihydrochloride cis-(Z) |
96L0Z069N1 |
cis-(Z)-Flupentixol (dihydrochloride) |
Flupentixol hydrochloride |
N 7009 |
(Z)-4-3-2-(Trifluoromethyl)-9H-thioxanthen-9-ylidenepropyl-1-piperazineethanol dihydrochloride |
2-4-(3Z)-3-2-(trifluoromethyl)thioxanthen-9-ylidenepropylpiperazin-1-ylethanol;dihydrochloride |
(Z)-4-(3-(2-(Trifluoromethyl)-9H-thioxanthen-9-ylidene)propyl)-1-piperazineethanol dihydrochloride |
EINECS 219-321-4 |
NSC 170952 |
Prestwick_902 |
cis-flupenthixol 2HCl |
1-Piperazineethanol, 4-(3-(2-trifluoromethylthioxanth-9-ylidene)propyl)-, dihydrochloride |
4-(3-(2-(Trifluoromethyl)thioxanthen-9-ylidene)propyl)-1-piperazineethanol dihydrochloride |
cis-Flupenthixol hydrochloride |
cis-flupenthixol dihydrochloride |
SCHEMBL1153162 |
CHEMBL1496351 |
EBD3474 |
EX-A352 |
CHEBI:180489 |
Flupentixol dihydrochloride (JAN) |
DTXSID501017247 |
HMS1569C21 |
Cis(Z)-Flupentixol Dihydrochloride |
Tox21_500528 |
MFCD00069278 |
s3664 |
AKOS025401529 |
AC-2136 |
CCG-221832 |
LP00528 |
NCGC00093921-01 |
NCGC00261213-01 |
1-Piperazineethanol, 4-(3-(2-(trifluoromethyl)-9H-thioxanthen-9-ylidene)propyl)-, dihydrochloride, (Z)- |
4-(3-(2-(Trifluoromethyl)-9H-thioxanthen-9-ylidene)propyl)piperazine-1-ethanol dihydrochloride |
BS-16961 |
HY-15856 |
Thioxanthene, 9-(3-(4-(2-hydroxyethyl)piperazinyl)propylidene)-2-trifluoromethyl-, dihydrochloride |
B7578 |
CS-0009393 |
EU-0100528 |
F-114 |
D02236 |
529F012 |
SR-01000076232 |
J-015359 |
SR-01000076232-1 |
Q27271910 |
UNII-HAT84MLQ6Z component IOVDQEIIMOZNNA-MHKBYHAFSA-N |
cis-(Z)-Flupenthixol dihydrochloride, >=98% (HPLC), solid |
(Z)-2-(4-(3-(2-(trifluoromethyl)-9H-thioxanthen-9-ylidene)propyl)piperazin-1-yl)ethanol dihydrochloride |
(Z)-4-3-2-(Trifluoromethyl)-9H-thioxanthen-9-ylidenepropyl-1-piperazine-ethanol dihydrochloride |
(Z)-4-3-2-(Trifluoromethyl)-9H-thioxanthen-9-ylidenepropylpiperazine-1-ethanol dihydrochloride |
1-(2-hydroxyethyl)-4-{(3Z)-3-2-(trifluoromethyl)-9H-thioxanthen-9-ylidenepropyl}piperazinediium dichloride |
1-Piperazineethanol, 4-(3-(2-(trifluoromethyl)-9H-thioxanthen-9-ylidene)propyl)-, dihydrochloride (9CI) |
1-Piperazineethanol, 4-(3-(2-(trifluoromethyl)thioxanthen-9-ylidene)propyl)-, dihydrochloride (8CI) |
2-(4-{(3Z)-3-2-(trifluoromethyl)-9H-thioxanthen-9-ylidenepropyl}piperazin-1-yl)ethan-1-ol--hydrogen chloride (1/2) |
2-(4-{(3Z)-3-2-(trifluoromethyl)-9H-thioxanthen-9-ylidenepropyl}piperazin-1-yl)ethanol dihydrochloride |
Experimental Data
Flupenthixol dihydrochloride
| Species | Dosage | Unit | CG Lifespan(AVG/MED days) | TG Lifespan(AVG/MED days) | Lifespan Change(AVG/MED%) | CG Lifespan(MAX days) | TG Lifespan(MAX days) | Lifespan Change(MAX%) | Significant | Strain | Gender | PubMed | Active Label |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33 | umol/L | 30 | S | N2 | 24134630 | Active | ||||||
| Caenorhabditis elegans | 33 | umol/L | 30 | S | N2 | 33683565 | Active |
Experimental Data Visualization
Flupenthixol dihydrochloride
Statistics Data
Flupenthixol dihydrochloride
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 30 | 2 | 2 |
Statistics Data Visualization
Flupenthixol dihydrochloride
