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Melperone Hydrochloride

CAT: 0572-TRC-M216800-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M216800-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1622-79-3
Synonyms
1-(4-Fluorophenyl)-4-(4-methyl-1-piperidinyl)-1-butanone; Methylperone Hydrochloride; Flubuperone Hydrochloride; 4-Fluoro-γ-(4-methylpiperidino)butyrophenone Hydrochloride; 4'-Fluoro-4-(4-methylpiperidino)butyrophenone Hydrochloride; Buronil Hydrochloride; FG 5111 Hydrochloride; γ-(4-Methylpiperidino)-p-fluorobutyrophenone Hydrochloride
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
Cl.CC1CCN(CCCC(=O)c2ccc(F)cc2)CC1
Molecular Formula
C16 H22 F N O . Cl H
Molecular Weight
299.81
InChI
InChI=1S/C16H22FNO.ClH/c1-13-8-11-18(12-9-13)10-2-3-16(19)14-4-6-15(17)7-5-14;/h4-7,13H,2-3,8-12H2,1H3;1H
Additionnal Information
IUPAC name: 1-(4-fluorophenyl)-4-(4-methylpiperidin-1-yl)butan-1-one;hydrochloride
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Melperone hydrochloride
CAS Number1622-79-3
PubChem CID9926325
IUPAC Name1-(4-fluorophenyl)-4-(4-methylpiperidin-1-yl)butan-1-one;hydrochloride
Molecular FormulaC16H23ClFNO
Molecular Weight299.81
Topological Polar Surface Area20.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count20
Formal Charge0
Complexity278
SMILES
CC1CCN(CC1)CCCC(=O)C2=CC=C(C=C2)F.Cl
InChI
InChI=1S/C16H22FNO.ClH/c1-13-8-11-18(12-9-13)10-2-3-16(19)14-4-6-15(17)7-5-14;/h4-7,13H,2-3,8-12H2,1H3;1H
InChIKey
MQHYXXIJLKFQGY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Melperone hydrochloride
CAS: 1622-79-3
CID: 9926325
Formula: C16H23ClFNO
MW: 299.81
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight299.81
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass299.1452202
Monoisotopic Mass299.1452202
Topological Polar Surface Area20.3 Ų
Heavy Atom Count20
Formal Charge0
Complexity278
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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