12-Hydroxy Nevirapine 12-O-beta-D-Glucuronide

Nombre del analito

12-Hydroxy Nevirapine 12-O-beta-D-Glucuronide

Número CAS

245500-95-2

Fórmula molecular

C21H22N4O8

Peso molecular

458.42

Masa exacta

458.14

SMILES

O=C1NC2=C(N(C3=C1C=CC=N3)C4CC4)N=CC=C2CO[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O)O)C(O)=O

InChI

InChI=1S/C21H22N4O8/c26-13-14(27)16(20(30)31)33-21(15(13)28)32-8-9-5-7-23-18-12(9)24-19(29)11-2-1-6-22-17(11)25(18)10-3-4-10/h1-2,5-7,10,13-16,21,26-28H,3-4,8H2,(H,24,29)(H,30,31)/t13-,14-,15+,16-,21+/m0/s1

IUPAC

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

Temperatura de envío

Room Temperature

País de origen

CANADA

Formato del producto

Neat