Products 245500-93-0

CAS 245500-93-0 is the registry number for 3-Hydroxy Nevirapine 3-O-beta-D-Glucuronide. Offered by: TRC. Available pack sizes: 75mg.

3-Hydroxy Nevirapine 3-O-beta-D-Glucuronide
TRC
  • size: 75mg
  • Variants: 1
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Structural formula: {0} (CAS {1})

(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 (CAS 245500-93-0) is a chemical compound with the molecular formula C21H22N4O8 and a molecular weight of 458.4 g/mol. IUPAC name: (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. InChIKey: NDHKVQJGORCCLP-KUSYAZKWSA-N.

Identity
Molecular formulaC21H22N4O8
Molecular weight458.4 g/mol
IUPAC name(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
InChIKeyNDHKVQJGORCCLP-KUSYAZKWSA-N
SMILESCC1=C2C(=NC=C1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)N(C4=C(C=CC=N4)C(=O)N2)C5CC5

Computed by PubChem (NCBI)

Synonyms: 3-Hydroxy Nevirapine 3-O-?-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
(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
(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 C21H22N4O8