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4-[4-(4'-Chlorobiphenyl-2-ylmethyl)piperazin-1-yl]benzoic Acid-[d8]

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4-[4-(4'-Chlorobiphenyl-2-ylmethyl)piperazin-1-yl]benzoic Acid-[d8]

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General Information
Catalog: BLP-006172
CAS: 1246819-26-0
Molecular Formula: C24H15D8ClN2O2
Molecular Weight: 414.95

Chemical Structure

Description	4-[4-(4'-Chlorobiphenyl-2-ylmethyl)piperazin-1-yl]benzoic Acid-[d8] is the labelled analogue of 4-[4-(4'-Chlorobiphenyl-2-ylmethyl)piperazin-1-yl]benzoic Acid, which is an intermediate in the production of ABT 737.
Synonyms	4-[4-(4'-Chlorobiphenyl-2-ylmethyl)piperazin-1-yl]benzoic Acid-d8; 4-[4-[(4'-Chloro[1,1'-biphenyl]-2-yl)methyl]-1-piperazinyl]benzoic Acid-d8
IUPAC Name	4-[4-[[2-(4-chlorophenyl)phenyl]methyl]-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl]benzoic acid
Related CAS	916204-05-2 (unlabelled)
Canonical SMILES	C1CN(CCN1CC2=CC=CC=C2C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)C(=O)O
InChI	InChI=1S/C24H23ClN2O2/c25-21-9-5-18(6-10-21)23-4-2-1-3-20(23)17-26-13-15-27(16-14-26)22-11-7-19(8-12-22)24(28)29/h1-12H,13-17H2,(H,28,29)/i13D2,14D2,15D2,16D2
InChI Key	FSHGEKXJPYDBSO-DBVREXLBSA-N
Purity	98%; 98% atom D
Solubility	Soluble in Dimethylformamide, DMSO
Appearance	Off-white Solid
Storage	Store at 2-8°C