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3-Ethyl Haloperidol-[d4]

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General Information
Catalog: BLP-002721
CAS: 1794883-80-9
Molecular Formula: C23H23D4ClFNO2
Molecular Weight: 407.94

Chemical Structure

Description	3-Ethyl Haloperidol-[d4] is the labelled analogue of 3-Ethyl Haloperidol (Haloperidol Impurity C), which is an impurity of the antipsychotic agent Haloperidol.
Synonyms	3-Ethyl Haloperidol D4; 4-[4-(4-Chlorophenyl-d4)-4-hydroxy-1-piperidinyl]-1-(3-ethyl-4-fluorophenyl)-1-butanone
IUPAC Name	4-[4-(4-chloro-2,3,5,6-tetradeuteriophenyl)-4-hydroxypiperidin-1-yl]-1-(3-ethyl-4-fluorophenyl)butan-1-one
Related CAS	1391052-87-1 (unlabelled)
Canonical SMILES	CCC1=C(C=CC(=C1)C(=O)CCCN2CCC(CC2)(C3=CC=C(C=C3)Cl)O)F
InChI	InChI=1S/C23H27ClFNO2/c1-2-17-16-18(5-10-21(17)25)22(27)4-3-13-26-14-11-23(28,12-15-26)19-6-8-20(24)9-7-19/h5-10,16,28H,2-4,11-15H2,1H3/i6D,7D,8D,9D
InChI Key	QITPBBUJMSLKPO-YKVCKAMESA-N