8-Hydroxy Efavirenz 8-O-beta-D-Glucuronide
Product Code
TRC-H942945-50MG
CAS Number
Product Format
Neat
Molecular Formula
C20H17ClF3NO9
Molecular Weight
507.8
Product Categories
Product Information
Chemical Data
Analyte Name
8-Hydroxy Efavirenz 8-O-beta-D-Glucuronide
CAS Number
252343-38-7
Molecular Formula
C20H17ClF3NO9
Molecular Weight
507.8
Accurate Mass
507.05
SMILES
ClC1=CC([C@@](C#CC2CC2)(C(F)(F)F)OC(N3)=O)=C3C(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O4)=C1
InChI
InChI=1S/C20H17ClF3NO9/c21-8-5-9-11(25-18(31)34-19(9,20(22,23)24)4-3-7-1-2-7)10(6-8)32-17-14(28)12(26)13(27)15(33-17)16(29)30/h5-7,12-15,17,26-28H,1-2H2,(H,25,31)(H,29,30)/t12-,13-,14+,15?,17+,19?/m0/s1
IUPAC
(2S,3S,4S,5R,6S)-6-(((S)-6-chloro-4-(cyclopropylethynyl)-2-oxo-4-(trifluoromethyl)-1,4-dihydro-2H-benzo[d][1,3]oxazin-8-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
Product Data
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat
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