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Haloperidol Hydrochloride

CAT: 0572-TRC-H103760-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-H103760-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1511-16-6
Synonyms
Haloperidol Hydrochloride
Hazard Statement
Toxic if swallowed; UN number: UN2811; Packing Group: III
Purity
>95% (HPLC)
Smiles
FC1=CC=C(C(CCCN2CCC(C3=CC=C(Cl)C=C3)(O)CC2)=O)C=C1.Cl
Molecular Formula
C21 H23 Cl F N O2 . H Cl
Molecular Weight
412.325
InChI
InChI=1S/C21H23ClFNO2.ClH/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16;/h3-10,26H,1-2,11-15H2;1H
Additionnal Information
IUPAC name: 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one;hydrochloride
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Haloperidol hydrochloride
CAS Number1511-16-6
PubChem CID11495267
IUPAC Name4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one;hydrochloride
Molecular FormulaC21H24Cl2FNO2
Molecular Weight412.3
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count27
Formal Charge0
Complexity451
SMILES
C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(=O)C3=CC=C(C=C3)F.Cl
InChI
InChI=1S/C21H23ClFNO2.ClH/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16;/h3-10,26H,1-2,11-15H2;1H
InChIKey
JMRYYMBDXNZQMH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Haloperidol hydrochloride
CAS: 1511-16-6
CID: 11495267
Formula: C21H24Cl2FNO2
MW: 412.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight412.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass411.1168126
Monoisotopic Mass411.1168126
Topological Polar Surface Area40.5 Ų
Heavy Atom Count27
Formal Charge0
Complexity451
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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