CAS Number
Molecular Formula
C28H33ClO13
Product format
Neat
Molecular Weight
613.01
Shipping
Room Temperature
API Family
Synonyms
Ertugliflozin metabolite M5c; U7X2VQX83T; Ertugliflozin-3-o-glucuronide; RefChem:200808; 1500090-85-6; PF-06481944; Ertugliflozin-3-O-?-glucuronide; Ertugliflozin Impurity 7; UNII-U7X2VQX83T; C28H33ClO13; CHEMBL3526185; Ertugliflozin-3-o-beta-glucuronide; ERTUGLIFLOZIN-3-O-.BETA.-GLUCURONIDE; (2S, 3S, 4S, 5R, 6R)-6-(((1S, 2S, 3S, 4R, 5S)-5-(4-chloro-3-(4-ethoxybenzyl)phenyl)-2, 4-dihydroxy-1-(hydroxymethyl)-6, 8-dioxabicyclo[3.2.1]octan-3-yl)oxy)-3, 4, 5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid; (2S, 3S, 4S, 5R, 6R)-6-[[(1S, 2S, 3S, 4R, 5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-2, 4-dihydroxy-1-(hydroxymethyl)-6, 8-dioxabicyclo[3.2.1]octan-3-yl]oxy]-3, 4, 5-trihydroxy-tetrahydropyran-2-carboxylic acid; .BETA.-L-IDOPYRANOSE, 1, 6-ANHYDRO-1-C-(4-CHLORO-3-((4-ETHOXYPHENYL)METHYL)PHENYL)-3-O-.BETA.-D-GLUCOPYRANURONOSYL-5-C-(HYDROXYMETHYL)-; 1, 6-ANHYDRO-1-C-(4-CHLORO-3-((4-ETHOXYPHENYL)METHYL)PHENYL)-3-O-.BETA.-D-GLUCOPYRANURONOSYL-5-C-(HYDROXYMETHYL)-.BETA.-L-IDOPYRANOSE; 1, 6-Anhydro-1-C-(4-chloro-3-((4-ethoxyphenyl)methyl)phenyl)-3-o-beta-D-glucopyranuronosyl-5-C-(hydroxymethyl)-beta-L-idopyranose; beta-L-Idopyranose, 1 and 6-anhydro-1-C-(4-chloro-3-((4-ethoxyphenyl)methyl)phenyl)-3-o-beta-D-glucopyranuronosyl-5-C-(hydroxymethyl)-
Iupac Name
(2S, 3S, 4S, 5R, 6R)-6-[[(1S, 2S, 3S, 4R, 5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-2, 4-dihydroxy-1-(hydroxymethyl)-6, 8-dioxabicyclo[3.2.1]octan-3-yl]oxy]-3, 4 and 5-trihydroxyoxane-2-carboxylic acid
InChI
InChI=1S/C28H33ClO13/c1-2-38-16-6-3-13(4-7-16)9-14-10-15(5-8-17(14)29)28-24(35)22(23(34)27(11-30,42-28)12-39-28)41-26-20(33)18(31)19(32)21(40-26)25(36)37/h3-8,10,18-24,26,30-35H,2,9,11-12H2,1H3,(H,36,37)/t18-,19-,20+,21-,22-,23-,24+,26-,27-,28-/m0/s1
