Mrv0541 06231415172D          

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  5  4  2  0  0  0  0
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 25 26  1  0  0  0  0
M  END
> <ID>
CHEBI:5613

> <NAME>
haloperidol

> <DEFINITION>
A compound composed of a central piperidine structure with hydroxy and p-chlorophenyl substituents at position 4 and an N-linked p-fluorobutyrophenone moiety.

> <STAR>
3

> <SYNONYM>
gamma-(4-(p-chlorophenyl)-4-hydroxpiperidino)-p-fluorbutyrophenone; 4-[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]-1-(4-fluorophenyl)-butan-1-one; 4-(4-(para-chlorophenyl)-4-hydroxypiperidino)-4'-fluorobutyrophenone; 4'-fluoro-4-(4-hydroxy-4-(4'-chlorophenyl)piperidino)butyrophenone; 4'-fluoro-4-(4-(p-chlorophenyl)-4-hydroxypiperidinyl)butyrophenone; 1-(3-p-fluorobenzoylpropyl)-4-p-chlorophenyl-4-hydroxypiperidine

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

> <INN>
haloperidolum; haloperidol

> <BRAND_NAME>
Haldol

> <FORMULA>
C21H23ClFNO2

> <MASS>
375.86400

> <MONOISOTOPIC_MASS>
375.14013

> <CHARGE>
0

> <SMILES>
OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1

> <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

> <BEILSTEIN_REGISTRY_NUMBER>
331267

> <CAS_REGISTRY_NUMBER>
52-86-8

> <REAXYS_REGISTRY_NUMBER>
331267

> <CHEMIDPLUS>
52-86-8

> <DRUGBANK_ACCESSION>
DB00502

> <KEGG_COMPOUND_ACCESSION>
C01814

> <KEGG_DRUG_ACCESSION>
D00136

> <LINCS_ACCESSION>
LSM-3512

> <NIST_CHEMISTRY_WEBBOOK>
52-86-8

> <WIKIPEDIA_ACCESSION>
Haloperidol

> <PUBMED_CITATION>
10628896; 11304647; 25007358; 6725621; 7602118

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