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Ritonavir-[d6]

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General Information
Catalog: BLP-005991
CAS: 1217720-20-1
Molecular Formula: C37H42D6N6O5S2
Molecular Weight: 726.98

Chemical Structure

Description	A labelled Ritonavir. Ritonavir is a selective HIV protease inhibitor.
Synonyms	Ritonavir-d6; (3S,4S,6S,9S)-4-Hydroxy-12-methyl-9-(1-methylethyl-d6)-13-[2-(1-methylethyl)-4-thiazolyl]-8,11-dioxo-3,6-bis(phenylmethyl)-2,7,10,12-tetraazatridecanoic Acid 5-thiazolylmethyl Ester; A 84538-d6; ABT 538-d6; Norvir-d6
IUPAC Name	1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-5-[[(2S)-2-[[[2-(1,1,1,3,3,3-hexadeuteriopropan-2-yl)-1,3-thiazol-4-yl]methyl-methylcarbamoyl]amino]-3-methylbutanoyl]amino]-3-hydroxy-1,6-diphenylhexan-2-yl]carbamate
Related CAS	155213-67-5 (unlabelled)
Canonical SMILES	CC(C)C1=NC(=CS1)CN(C)C(=O)NC(C(C)C)C(=O)NC(CC2=CC=CC=C2)CC(C(CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)O
InChI	InChI=1S/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t28-,31-,32-,33-/m0/s1/i3D3,4D3
InChI Key	NCDNCNXCDXHOMX-GMBJSHJASA-N
Melting Point	51-56°C
Purity	≥97% by CP; ≥99% atom D
Solubility	Soluble in Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
Appearance	White to Pale Beige Solid
Storage	Store at-20°C