Haloperidol

CAT: 0127-PC109208-05Size: 25 gDry Ice: NoHazardous: No

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CAT#:0127-PC109208-05Size:25 g

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

52-86-8

Synonyms

4-[4- (4-chlorophenyl) -4-hydroxypiperidin-1-yl]-1- (4-fluorophenyl) butan-1-one

Purity

98%

Smiles

C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(=O)C3=CC=C(C=C3)F

Chemical Information

Haloperidol

Haloperidol can cause developmental toxicity and female reproductive toxicity according to state or federal government labeling requirements.

CAS Number	52-86-8
PubChem CID	3559
IUPAC Name	4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
Molecular Formula	C21H23ClFNO2
Molecular Weight	375.9
XLogP	3.2
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	26
Formal Charge	0
Complexity	451

SMILES

C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H23ClFNO2/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

InChIKey

LNEPOXFFQSENCJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 52-86-8

CID: 3559

Formula: C21H23ClFNO2

MW: 375.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	375.9
XLogP3	3.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	375.1401348
Monoisotopic Mass	375.1401348
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	451
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
B2099-500	Haloperidol