Products 1702668-46-9

CAS 1702668-46-9 is the registry number for rac 7-Hydroxy Efavirenz 7-O-beta-D-Glucuronide. Offered by: TRC. Available pack sizes: 50mg.

rac 7-Hydroxy Efavirenz 7-O-beta-D-Glucuronide
TRC
  • size: 50mg
  • Variants: 1
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Structural formula: {0} (CAS {1})

(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 (CAS 1702668-46-9) 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-[[6-chloro-4-(2-cyclopropylethynyl)-2-oxo-4-(trifluoromethyl)-1H-3,1-benzoxazin-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid. InChIKey: BQLVNDDLDQZWTI-QRXZUTPYSA-N.

Identity
Molecular formulaC20H17ClF3NO9
Molecular weight507.8 g/mol
IUPAC name(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
InChIKeyBQLVNDDLDQZWTI-QRXZUTPYSA-N
SMILESC1CC1C#CC2(C3=CC(=C(C=C3NC(=O)O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)Cl)C(F)(F)F

Computed by PubChem (NCBI)

Synonyms: rac 7-Hydroxy Efavirenz 7-O-beta-D-Glucuronide, rac7-HydroxyEfavirenz7-O-beta-D-Glucuronide
Isomers (same molecular formula)
(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 C20H17ClF3NO9