Products 252343-38-7

CAS 252343-38-7 is the registry number for 8-Hydroxy Efavirenz 8-O-beta-D-Glucuronide. Offered by: TRC. Available pack sizes: 50mg.

8-Hydroxy Efavirenz 8-O-beta-D-Glucuronide
TRC
  • size: 50mg
  • Variants: 1
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Structural formula: {0} (CAS {1})

(2S,3S,4S,5R,6S)-6-[[(4S)-6-chloro-4-(2-cyclopropylethynyl)-2-oxo-4-(trifluoromethyl)-1H-3,1-benzoxazin-8-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CAS 252343-38-7) is a chemical compound with the molecular formula C20H17ClF3NO9 and a molecular weight of 507.8 g/mol. IUPAC name: (2S,3S,4S,5R,6S)-6-[[(4S)-6-chloro-4-(2-cyclopropylethynyl)-2-oxo-4-(trifluoromethyl)-1H-3,1-benzoxazin-8-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid. InChIKey: OURIKXWHMJZDHE-UFPCOPRLSA-N.

Identity
Molecular formulaC20H17ClF3NO9
Molecular weight507.8 g/mol
IUPAC name(2S,3S,4S,5R,6S)-6-[[(4S)-6-chloro-4-(2-cyclopropylethynyl)-2-oxo-4-(trifluoromethyl)-1H-3,1-benzoxazin-8-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
InChIKeyOURIKXWHMJZDHE-UFPCOPRLSA-N
SMILESC1CC1C#C[C@]2(C3=C(C(=CC(=C3)Cl)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)NC(=O)O2)C(F)(F)F

Computed by PubChem (NCBI)

Synonyms: 8-Hydroxy Efavirenz 8-O-beta-D-Glucuronide, 8-HydroxyEfavirenz8-O-beta-D-Glucuronide
Isomers (same molecular formula)
(2S,3S,4S,5R,6S)-6-[[6-chloro-4-(2-cyclopropylethynyl)-2-oxo-4-(trifluoromethyl)-1H-3,1-benzoxazin-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid C20H17ClF3NO9