Products 245500-95-2

CAS 245500-95-2 is the registry number for 12-Hydroxy Nevirapine 12-O-beta-D-Glucuronide. Offered by: TRC. Available pack sizes: 50mg.

12-Hydroxy Nevirapine 12-O-beta-D-Glucuronide
TRC
  • size: 50mg
  • Variants: 1
View product
Structural formula: {0} (CAS {1})

(2S,3S,4S,5R,6R)-6-[(2-cyclopropyl-10-oxo-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-7-yl)methoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CAS 245500-95-2) is a chemical compound with the molecular formula C21H22N4O8 and a molecular weight of 458.4 g/mol. IUPAC name: (2S,3S,4S,5R,6R)-6-[(2-cyclopropyl-10-oxo-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-7-yl)methoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid. InChIKey: PHLQFYBPIPCHRK-KUSYAZKWSA-N.

Identity
Molecular formulaC21H22N4O8
Molecular weight458.4 g/mol
IUPAC name(2S,3S,4S,5R,6R)-6-[(2-cyclopropyl-10-oxo-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-7-yl)methoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
InChIKeyPHLQFYBPIPCHRK-KUSYAZKWSA-N
SMILESC1CC1N2C3=C(C=CC=N3)C(=O)NC4=C(C=CN=C42)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O

Computed by PubChem (NCBI)

Synonyms: 12-Hydroxy Nevirapine 12-O-beta-D-Glucuronide
Isomers (same molecular formula)
(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-5-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid C21H22N4O8
(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),3,5,7,12,14-hexaen-6-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid C21H22N4O8
(2R,3R,4R,5S,6R)-6-[(2-cyclopropyl-7-methyl-10-oxo-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-13-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid C21H22N4O8