Catalogue Number: ID731
Ivacaftor O-β-D-glucuronide
N-[2,4-bis(1,1-Dimethylethyl)-5-hydroxyphenyl β-D-glucopyranosiduronic acid]-1,4-dihydro-4-oxo-3-quinolinecarboxamide, VX 770 O-β-D-glucuronide
Categories
Properties
- CAS Number
- 2714407-72-2
- Molecular Formula
- C30H36N2O9
- Molecular Weight
- 568.61
- Chemical Purity
- Min. 95% [HPLC-UVD]
- Appearance
- White Solid
- Solubility
- DMSO, MeOH
Regulatory
- SDS
- SDS PDF (New Window)
- Search for COA
-
- DSL Status (Canada)
- None
- TSCA Certification (United States)
- Negative Certification
- RTECS Number
- N/A
Storage & Shipping
- Storage
- Store at 0 to -20 °C.
- Shipping Conditions
- Ambient, Express Only
- Tariff Code (United States)
- 2938900000
Safety
Not a dangerous substance according to GHS.
Search Terms
IUPAC Name
(2S,3S,4S,5R,6S)-6-[2,4-Bis(tert-butyl)-5-(4-oxo-1H-quinol-3-ylcarbonylamino)phenoxy]-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
InChI
InChI=1S/C30H36N2O9/c1-29(2,3)16-11-17(30(4,5)6)20(40-28-24(36)22(34)23(35)25(41-28)27(38)39)12-19(16)32-26(37)15-13-31-18-10-8-7-9-14(18)21(15)33/h7-13,22-25,28,34-36H,1-6H3,(H,31,33)(H,32,37)(H,38,39)/t22-,23-,24+,25-,28+/m0/s1
InChI Key
WVBNEDHZVDZVED-CPIYQPHESA-N
Smiles
C(C)(C)(C)C1=C(O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)C=C(C(=C1)C(C)(C)C)NC(=O)C1=CNC2=CC=CC=C2C1=O