Product Code
TRC-C050105
Product Format
Neat
Molecular Formula
C25H25F2N3O11
Molecular Weight
581.48
API Family
CabotegravirProduct Categories
Volatile Organic Compound Research and Reference Materials , TRC, Enzyme inhibitors, Anti-HIV agents, Antiviral, Pharmaceutical Toxicology Reference Materials
Alternate CAS Number
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Analyte Name
Cabotegravir O-b-D-Glucuronide
Molecular Formula
C25H25F2N3O11
Molecular Weight
581.48
Accurate Mass
581.15
SMILES
O[C@H]1[C@H](O)[C@@H](C(O)=O)O[C@@H](OC2=C3C(N([C@H]4C)[C@@](OC4)([H])CN3C=C(C(NCC5=CC=C(F)C=C5F)=O)C2=O)=O)[C@@H]1O
InChI
InChI=1S/C25H25F2N3O11/c1-9-8-39-14-7-29-6-12(22(35)28-5-10-2-3-11(26)4-13(10)27)16(31)20(15(29)23(36)30(9)14)40-25-19(34)17(32)18(33)21(41-25)24(37)38/h2-4,6,9,14,17-19,21,25,32-34H,5,7-8H2,1H3,(H,28,35)(H,37,38)/t9?,14-,17+,18+,19-,21?,25-/m1/s1
IUPAC
(2S,3S,4S,5R,6S)-6-(((3S,11aR)-8-((2,4-difluorobenzyl)carbamoyl)-3-methyl-5,7-dioxo-2,3,5,7,11,11a-hexahydrooxazolo[3,2-a]pyrido[1,2-d]pyrazin-6-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
Alternate CAS Number
Parent compound: 2639600-58-9; 2170827-75-3
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat
API Family
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