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Ritonavir-[13C3]

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General Information
Catalog: BLP-004145
CAS: 1217673-23-8
Molecular Formula: C34[13C]3H48N6O5S2
Molecular Weight: 723.92

Chemical Structure

Description	Ritonavir-[13C3] is a labelled form of Ritonavir which is an HIV protease inhibitor. Ritonavir is often used in a low dose with another protease inhibitor lopinavir.
Synonyms	(3S,4S,6S,9S)-4-Hydroxy-12-methyl-9-(1-methylethyl)-13-[2-(1-methylethyl)-4-thiazolyl]-8,11-dioxo-3,6-bis(phenylmethyl)-2,7,10,12-tetraazatridecanoic Acid 5-Thiazolylmethyl-13C3 Ester; A 84538-13C3; ABT 538-13C3; Norvir-13C3
IUPAC Name	(4,5-13C2)1,3-thiazol-5-yl(1-13C)methyl N-[(2S,3S,5S)-3-hydroxy-5-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-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/i19+1,21+1,30+1
InChI Key	NCDNCNXCDXHOMX-MZPZWQAXSA-N
Melting Point	60-62°C
Solubility	Soluble in Chloroform, Dichloromethane
Appearance	White Solid
Storage	Store at-20°C