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4-Defluoro-2-fluoro Haloperidol-[d4]

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General Information
Catalog: BLP-002877
CAS: 1795021-11-2
Molecular Formula: C21H19D4ClFNO2
Molecular Weight: 379.89

Chemical Structure

Description	4-Defluoro-2-fluoro Haloperidol-[d4] is the labelled analogue of 4-Defluoro-2-fluoro Haloperidol (Haloperidol Impurity B), which is a positional isomer and an impurity of the antipsychotic agent Haloperidol.
Synonyms	4-Defluoro-2-fluoro Haloperidol D4; 4-[4-(4-Chlorophenyl-d4)-4-hydroxy-1-piperidinyl]-1-(2-fluorophenyl)-1-butanone
IUPAC Name	4-[4-(4-chloro-2,3,5,6-tetradeuteriophenyl)-4-hydroxypiperidin-1-yl]-1-(2-fluorophenyl)butan-1-one
Related CAS	1391052-53-1 (unlabelled)
Canonical SMILES	C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(=O)C3=CC=CC=C3F
InChI	InChI=1S/C21H23ClFNO2/c22-17-9-7-16(8-10-17)21(26)11-14-24(15-12-21)13-3-6-20(25)18-4-1-2-5-19(18)23/h1-2,4-5,7-10,26H,3,6,11-15H2/i7D,8D,9D,10D
InChI Key	URVMQMKGIVIILI-ULDPCNCHSA-N