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Indinavir-[d6]

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General Information
Catalog: BLP-012393
CAS: 185897-02-3
Molecular Formula: C36H41D6N5O4
Molecular Weight: 619.83

Chemical Structure

Description	Indinavir-[d6] is the labelled analogue of Indinavir, which is a member of the novel hydroxyaminopentane amide class of HIV-1 protease inhibitors. It is used as an antiviral.
Synonyms	Indinavir D6; 2,3,5-Trideoxy-N-[(1S,2R)-2,3-dihydro-2-hydroxy-1H-inden-1-yl]-5-[(2S)-2[[(1,1-dimethylethyl)amino]carbonyl]-4-(3-pyridinylmethyl-d6)-1-piperazinyl]-2-(phenylmethyl)-D-erythro-pentonamide
IUPAC Name	(2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-N-tert-butyl-4-[dideuterio-(2,4,5,6-tetradeuteriopyridin-3-yl)methyl]piperazine-2-carboxamide
Related CAS	150378-17-9 (unlabelled)
Isomeric SMILES	[2H]C1=C(C(=C(N=C1[2H])[2H])C([2H])([2H])N2CCN([C@@H](C2)C(=O)NC(C)(C)C)C[C@H](C[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H]4[C@@H](CC5=CC=CC=C45)O)O)[2H]
Canonical SMILES	CC(C)(C)NC(=O)C1CN(CCN1CC(CC(CC2=CC=CC=C2)C(=O)NC3C(CC4=CC=CC=C34)O)O)CC5=CN=CC=C5
InChI	InChI=1S/C36H47N5O4/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45)/t28-,29+,31+,32-,33+/m1/s1/i9D,12D,15D,21D,22D2
InChI Key	CBVCZFGXHXORBI-JYVVPHGCSA-N
Boiling Point	877.9±65.0 °C at 760 mmHg
Melting Point	152-154°C
Purity	95% by HPLC; 95% atom D
Density	1.3±0.1 g/cm3
Solubility	Soluble in Chloroform, Methanol
Appearance	White to Pale Yellow Solid
Storage	Store at -20°C