2-Hydroxy Nevirapine 2-O-beta-D-Glucuronide

Analyte Name

2-Hydroxy Nevirapine 2-O-beta-D-Glucuronide

CAS Number

245500-91-8

Molecular Formula

C21H22N4O8

Molecular Weight

458.42

Accurate Mass

458.14

SMILES

O=C1NC2=C(N(C3=C1C=CC=N3)C4CC4)N=C(O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O)O)C(O)=O)C=C2C

InChI

InChI=1S/C21H22N4O8/c1-8-7-11(32-21-15(28)13(26)14(27)16(33-21)20(30)31)23-18-12(8)24-19(29)10-3-2-6-22-17(10)25(18)9-4-5-9/h2-3,6-7,9,13-16,21,26-28H,4-5H2,1H3,(H,24,29)(H,30,31)/t13-,14-,15+,16-,21+/m0/s1

IUPAC

(2S,3S,4S,5R,6S)-6-((11-cyclopropyl-4-methyl-6-oxo-6,11-dihydro-5H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-2-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat