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N-Desmethyl Netupitant-[d6]

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General Information
Catalog: BLP-012898
CAS: 2070015-21-1
Molecular Formula: C29H24D6F6N4O
Molecular Weight: 570.60

Chemical Structure

Description	N-Desmethyl Netupitant-[d6] is the labelled analogue of N-Desmethyl Netupitant, which is a derivative of Netupitant. Netupitant is a selective neurokinin 1 receptor antagonist with potential antiemetic activity.
Synonyms	N-Desmethyl Netupitant D6; N,α,α-Trimethyl-N-[4-(2-methylphenyl)-6-(1-piperazinyl)-3-pyridinyl]-3,5-bis(trifluoromethyl)-benzeneacetamide-d6; 2-[3,5-Bis(trifluoromethyl)phenyl]-N-methyl-N-[6-(piperazin-1-yl)-4-o-tolylpyridin-3-yl]isobutyramide-d6
IUPAC Name	2-[3,5-bis(trifluoromethyl)phenyl]-3,3,3-trideuterio-N-methyl-N-[4-(2-methylphenyl)-6-piperazin-1-ylpyridin-3-yl]-2-(trideuteriomethyl)propanamide
Related CAS	290296-72-9 (unlabelled)
Canonical SMILES	CC1=CC=CC=C1C2=CC(=NC=C2N(C)C(=O)C(C)(C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N4CCNCC4
InChI	InChI=1S/C29H30F6N4O/c1-18-7-5-6-8-22(18)23-16-25(39-11-9-36-10-12-39)37-17-24(23)38(4)26(40)27(2,3)19-13-20(28(30,31)32)15-21(14-19)29(33,34)35/h5-8,13-17,36H,9-12H2,1-4H3/i2D3,3D3
InChI Key	SRVSDBHUBFLSFE-XERRXZQWSA-N
Purity	>98%
Appearance	White Solid