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Netupitant-[d6]

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General Information
Catalog: BLP-012473
CAS: 2070015-31-3
Molecular Formula: C30H26D6F6N4O
Molecular Weight: 584.63

Chemical Structure

Description	Netupitant-[d6] is the labelled analogue of Netupitant, which is a selective neurokinin 1 receptor antagonist with potential antiemetic activity.
Synonyms	Netupitant D6
IUPAC Name	2-[3,5-bis(trifluoromethyl)phenyl]-3,3,3-trideuterio-N-methyl-N-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-yl]-2-(trideuteriomethyl)propanamide
Related CAS	290297-26-6 (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)N4CCN(CC4)C
InChI	InChI=1S/C30H32F6N4O/c1-19-8-6-7-9-23(19)24-17-26(40-12-10-38(4)11-13-40)37-18-25(24)39(5)27(41)28(2,3)20-14-21(29(31,32)33)16-22(15-20)30(34,35)36/h6-9,14-18H,10-13H2,1-5H3/i2D3,3D3
InChI Key	WAXQNWCZJDTGBU-XERRXZQWSA-N
Boiling Point	597.4±50.0 °C at 760 mmHg
Purity	98% by HPLC; 98% atom D
Density	1.3±0.1 g/cm3