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Monohydroxy Netupitant-[d6]

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General Information
Catalog: BLP-012897
CAS: 2070015-07-3
Molecular Formula: C30H26D6F6N4O2
Molecular Weight: 600.63

Chemical Structure

Description	Monohydroxy Netupitant-[d6] is the labelled analogue of Monohydroxy Netupitant. Monohydroxy Netupitant is an impurity of Netupitant, which is a selective neurokinin 1 receptor antagonist with potential antiemetic activity.
Synonyms	Monohydroxy Netupitant D6; N-[4-[2-(Hydroxymethyl)phenyl]-6-(4-methyl-1-piperazinyl)-3-pyridinyl]-N,α,α-trimethyl-3,5-bis(trifluoromethyl)-benzeneacetamide-d6
IUPAC Name	2-[3,5-bis(trifluoromethyl)phenyl]-3,3,3-trideuterio-N-[4-[2-(hydroxymethyl)phenyl]-6-(4-methylpiperazin-1-yl)pyridin-3-yl]-N-methyl-2-(trideuteriomethyl)propanamide
Related CAS	910808-12-7 (unlabelled)
Canonical SMILES	CC(C)(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C(=O)N(C)C2=CN=C(C=C2C3=CC=CC=C3CO)N4CCN(CC4)C
InChI	InChI=1S/C30H32F6N4O2/c1-28(2,20-13-21(29(31,32)33)15-22(14-20)30(34,35)36)27(42)39(4)25-17-37-26(40-11-9-38(3)10-12-40)16-24(25)23-8-6-5-7-19(23)18-41/h5-8,13-17,41H,9-12,18H2,1-4H3/i1D3,2D3
InChI Key	CUGOZHKFGSQBGD-WFGJKAKNSA-N
Purity	>98%
Appearance	White Solid