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Trifluperidol Hydrochloride

CAT: 0572-TRC-T793533-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-T793533-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2062-77-3
Synonyms
4'-Fluoro-4-[4-hydroxy-4-(α,α,α-trifluoro-m-tolyl)piperidino]-butyrophenone Hydrochloride; Psychoperidol; R 2489; Trifluperidol Chlorhydrate; 1-(4-Fluorophenyl)-4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]-1-piperidinyl]-1-butanone Hydrochloride;
Hazard Statement
Toxic if swallowed; UN number: UN2811; Packing Group: III
Smiles
O=C(C1=CC=C(F)C=C1)CCCN2CCC(C3=CC=CC(C(F)(F)F)=C3)(O)CC2.Cl
Molecular Formula
C22H23F4NO2 • (HCl)
Molecular Weight
445.88
InChI
InChI=1S/C22H23F4NO2.ClH/c23-19-8-6-16(7-9-19)20(28)5-2-12-27-13-10-21(29,11-14-27)17-3-1-4-18(15-17)22(24,25)26;/h1,3-4,6-9,15,29H,2,5,10-14H2;1H
Additionnal Information
IUPAC name: 1-(4-fluorophenyl)-4-(4-hydroxy-4-(3-(trifluoromethyl)phenyl)piperidin-1-yl)butan-1-one hydrochloride
Shipping Conditions
Room Temperature

Chemical Information

Trifluperidol hydrochloride
CAS Number2062-77-3
PubChem CID11647992
IUPAC Name1-(4-fluorophenyl)-4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]butan-1-one;hydrochloride
Molecular FormulaC22H24ClF4NO2
Molecular Weight445.9
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity537
SMILES
C1CN(CCC1(C2=CC(=CC=C2)C(F)(F)F)O)CCCC(=O)C3=CC=C(C=C3)F.Cl
InChI
InChI=1S/C22H23F4NO2.ClH/c23-19-8-6-16(7-9-19)20(28)5-2-12-27-13-10-21(29,11-14-27)17-3-1-4-18(15-17)22(24,25)26;/h1,3-4,6-9,15,29H,2,5,10-14H2;1H
InChIKey
VYGQXRZAHIZHQV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Trifluperidol hydrochloride
CAS: 2062-77-3
CID: 11647992
Formula: C22H24ClF4NO2
MW: 445.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight445.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass445.1431694
Monoisotopic Mass445.1431694
Topological Polar Surface Area40.5 Ų
Heavy Atom Count30
Formal Charge0
Complexity537
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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