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Nelfinavir-[d3]

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General Information
Catalog: BLP-006058
CAS: 1217629-70-3
Molecular Formula: C32H42D3N3O4S
Molecular Weight: 570.80

Chemical Structure

Description	Nelfinavir-[d3] is the labelled analogue of Nelfinavir, which is a potent and orally bioavailable human immunodeficiency virus HIV-1 protease inhibitor.
Synonyms	Nelfinavir D3; Viracept-d3; (3S-(2(2S,3S),3alpha,4abeta,8abeta))-N-(1,1-Dimethylethyl)decahydro-2-(2-hydroxy-3-((3-hydroxy-2-methylbenzoyl)amino)-4-(phenylthio)butyl)-3-isoquinolinecarboxamide-d3
IUPAC Name	(3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[[3-hydroxy-2-(trideuteriomethyl)benzoyl]amino]-4-phenylsulfanylbutyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide
Related CAS	159989-64-7 (unlabelled)
Canonical SMILES	CC1=C(C=CC=C1O)C(=O)NC(CSC2=CC=CC=C2)C(CN3CC4CCCCC4CC3C(=O)NC(C)(C)C)O
InChI	InChI=1S/C32H45N3O4S/c1-21-25(15-10-16-28(21)36)30(38)33-26(20-40-24-13-6-5-7-14-24)29(37)19-35-18-23-12-9-8-11-22(23)17-27(35)31(39)34-32(2,3)4/h5-7,10,13-16,22-23,26-27,29,36-37H,8-9,11-12,17-20H2,1-4H3,(H,33,38)(H,34,39)/t22-,23+,26-,27-,29+/m0/s1/i1D3
InChI Key	QAGYKUNXZHXKMR-VWGNXJLPSA-N
Boiling Point	786.8±60.0 °C at 760 mmHg
Melting Point	187-190°C
Flash Point	429.7±32.9 °C
Purity	≥96%; ≥98% atom D
Density	1.2±0.1 g/cm3
Solubility	Slightly soluble in DMSO, Methanol
Appearance	White to Off-white Solid
Storage	Store at-20°C under inert atmosphere