Product Code

TRC-H949960

CAS Number

245500-93-0

Product Format

Neat

Molecular Formula

C21 H22 N4 O8

Molecular Weight

458.421

Product Categories

TRC, Pharmaceutical Toxicology Reference Materials , API Reference Standards & Research Materials

Product Type

API

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

3-Hydroxy Nevirapine 3-O-beta-D-Glucuronide

CAS Number

245500-93-0

Molecular Formula

C21 H22 N4 O8

Molecular Weight

458.421

Accurate Mass

458.144

SMILES

Cc1c(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(=O)O)cnc3N(C4CC4)c5ncccc5C(=O)Nc13

InChI

InChI=1S/C21H22N4O8/c1-8-11(32-21-15(28)13(26)14(27)16(33-21)20(30)31)7-23-18-12(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-[(2-cyclopropyl-7-methyl-10-oxo-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-6-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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3-Hydroxy Nevirapine 3-O-beta-D-Glucuronide

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