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Product Code
TRC-R100310
CAS Number
Product Format
Neat
Molecular Formula
C26 H29 F N6 O11
Molecular Weight
620.54
API Family
RaltegravirProduct Categories
TRC, Additional endogenous metabolites, Pharmaceutical Toxicology Reference Materials , Infectious Disease Research Chemicals and Analytical Standards
Product Type
MetabolitePurity
>95% (HPLC)
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Analyte Name
Raltegravir beta-D-glucuronide
CAS Number
952654-62-5
Molecular Formula
C26 H29 F N6 O11
Molecular Weight
620.54
Accurate Mass
620.1878
SMILES
CN1C(=O)C(=C(N=C1C(C)(C)NC(=O)c2oc(C)nn2)C(=O)NCc3ccc(F)cc3)O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(=O)O
InChI
InChI=1S/C26H29FN6O11/c1-10-31-32-21(42-10)20(38)30-26(2,3)25-29-13(19(37)28-9-11-5-7-12(27)8-6-11)17(22(39)33(25)4)43-24-16(36)14(34)15(35)18(44-24)23(40)41/h5-8,14-16,18,24,34-36H,9H2,1-4H3,(H,28,37)(H,30,38)(H,40,41)/t14-,15-,16+,18-,24+/m0/s1
IUPAC
(2S,3S,4S,5R,6S)-6-[4-[(4-fluorophenyl)methylcarbamoyl]-1-methyl-2-[2-[(5-methyl-1,3,4-oxadiazole-2-carbonyl)amino]propan-2-yl]-6-oxopyrimidin-5-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Type
Metabolite
Product Format
Neat
API Family
Purity
>95% (HPLC)
A metabolite of Raltegravir.
References: Bosma, P., et al.: J. Biol. Chem., 269, 17960 (1994)
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