Ivacaftor Acyl-Glucuronide
Product Code
TRC-I940630-50MG
Product Format
Neat
Molecular Formula
C30 H34 N2 O10
Molecular Weight
582.598
Product Categories
Price and availability
Product Information
Product Data
Analyte Name
Ivacaftor Acyl-Glucuronide
Molecular Formula
C30 H34 N2 O10
Molecular Weight
582.598
Accurate Mass
582.221
SMILES
CC(C)(C)c1cc(ccc1NC(=O)C2=CNc3ccccc3C2=O)C(C)(C)C(=O)O[C@@H]4O[C@@H]([C@@H](O)C(O)C4O)C(=O)O
InChI
InChI=1S/C30H34N2O10/c1-29(2,3)17-12-14(30(4,5)28(40)42-27-23(36)21(34)22(35)24(41-27)26(38)39)10-11-19(17)32-25(37)16-13-31-18-9-7-6-8-15(18)20(16)33/h6-13,21-24,27,34-36H,1-5H3,(H,31,33)(H,32,37)(H,38,39)/t21?,22-,23?,24-,27-/m0/s1
IUPAC
(2S,3S,6S)-6-[2-[3-tert-butyl-4-[(4-oxo-1H-quinoline-3-carbonyl)amino]phenyl]-2-methylpropanoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Storage & Transport Information
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Attributes
Product Format
Neat
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