Product Code

TRC-C050105

Product Format

Neat

Molecular Formula

C25H25F2N3O11

Molecular Weight

581.48

API Family

Cabotegravir

Product Categories

Volatile Organic Compound Research and Reference Materials , TRC, Enzyme inhibitors, Anti-HIV agents, Antiviral, Pharmaceutical Toxicology Reference Materials , Pharmaceutical Toxicology Reference Materials

Product Type

Bioactive Small Molecule

Alternate CAS Number

Parent compound: 2639600-58-9; 2170827-75-3

Price and availability

48-hour USA dispatch time

Freight restricted.

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Documentation

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Product Information

Chemical Data

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

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Cabotegravir

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Cabotegravir O-Beta-D-Glucuronide

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