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4-[4-[4-(Diphenylmethoxy-[d5])-1-piperidinyl]-1-butyne]-α,α-dimethyl-benzeneacetic Acid Methyl Ester

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General Information
Catalog: BLP-007796
CAS: 1216447-65-2
Molecular Formula: C33H32D5NO3
Molecular Weight: 500.68

Chemical Structure

Description	A labelled form of 4-[4-[4-(Diphenylmethoxy)-1-piperidinyl]-1-butyne]-α,α-dimethyl-benzeneacetic Acid Methyl Ester.
Synonyms	4-[Diphenyl(methoxy-d5)-1-piperidinyl]-1-[4-[(1-methyl-1-methoxycarbonyl)ethyl]phenyl]butyne
IUPAC Name	methyl 2-methyl-2-[2-[1-[4-[(2,3,4,5,6-pentadeuteriophenyl)-phenylmethoxy]piperidin-1-yl]but-3-ynyl]phenyl]propanoate
Related CAS	1159977-33-9 (unlabelled)
Canonical SMILES	CC(C)(C1=CC=CC=C1C(CC#C)N2CCC(CC2)OC(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC
InChI	InChI=1S/C33H37NO3/c1-5-14-30(28-19-12-13-20-29(28)33(2,3)32(35)36-4)34-23-21-27(22-24-34)37-31(25-15-8-6-9-16-25)26-17-10-7-11-18-26/h1,6-13,15-20,27,30-31H,14,21-24H2,2-4H3/i6D,8D,9D,15D,16D
InChI Key	VQJUKVZDMDOJPX-ZGCUXIDXSA-N
Purity	>98%
Solubility	Soluble in Chloroform, Dichloromethane, Methanol
Appearance	Brown Solid