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Trifluoperazine dihydrochloride

CAT: 0127-BUP17368-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP17368-01Size:100 mg
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CAS Number
440-17-5
Synonyms
Trifluoperazine 2HCl, SKF5019, Urinox
Purity
=98%
Smiles
Cl.CN1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(C=C3)C(F)(F)F)CC1

Chemical Information

Trifluoperazine Hydrochloride

Trifluoperazine Hydrochloride is the hydrochloride salt of trifluoperazine, a phenothiazine derivative and a dopamine, alpha-adrenergic, and anticholinergic antagonist with antipsychotic, anxiolytic, and antiemetic activities. Trifluoperazine blocks central dopamine receptors, which may prevent or mitigate delusions and hallucinations caused by an excess of dopamine; dopamine blockade in the chemoreceptor trigger zone (CTZ) may result in an antiemetic effect. This agent binds to central adrenergic receptors, which may result in anxiolytic effects. Trifluoperazine also functions as a calmodulin inhibitor, elevating cytosolic calcium.

CAS Number440-17-5
PubChem CID66064
IUPAC Name10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine;dihydrochloride
Molecular FormulaC21H26Cl2F3N3S
Molecular Weight480.4
Topological Polar Surface Area35
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count30
Formal Charge0
Complexity510
SMILES
CN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F.Cl.Cl
InChI
InChI=1S/C21H24F3N3S.2ClH/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24;;/h2-3,5-8,15H,4,9-14H2,1H3;2*1H
InChIKey
BXDAOUXDMHXPDI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Trifluoperazine Hydrochloride
CAS: 440-17-5
CID: 66064
Formula: C21H26Cl2F3N3S
MW: 480.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight480.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass479.1176589
Monoisotopic Mass479.1176589
Topological Polar Surface Area35 Ų
Heavy Atom Count30
Formal Charge0
Complexity510
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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