Catalogue Number: LD389
Lumacaftor acyl-β-D-glucuronide
3-[6-[[[1-(2,2-Difluoro-1,3-benzodioxol-5-yl)cyclopropyl]carbonyl]amino]-3-methyl-2-pyridinyl]-benzoate β-D-glucopyranuronic acid, VX-809 acyl-β-D-glucuronide, VRT-826809 acyl-β-D-glucuronide
Categories
Properties
- CAS Number
- 2919250-86-3
- Molecular Formula
- C30H26F2N2O11
- Molecular Weight
- 628.53
- Chemical Purity
- Min. 97% [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 8 °C.
- Shipping Conditions
- Ambient Temperature
- Tariff Code (United States)
- 2938900000
Safety
Not a dangerous substance according to GHS.
Search Terms
IUPAC Name
(2S,3S,4S,5R,6S)-6-(m-{6-[1-(2,2-Difluoro-2H-1,3-benzodioxol-5-yl)cyclopropylcarbonylamino]-3-methyl-2-pyridyl}benzoyloxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
InChI
InChI=1S/C30H26F2N2O11/c1-13-5-8-19(34-28(41)29(9-10-29)16-6-7-17-18(12-16)45-30(31,32)44-17)33-20(13)14-3-2-4-15(11-14)26(40)43-27-23(37)21(35)22(36)24(42-27)25(38)39/h2-8,11-12,21-24,27,35-37H,9-10H2,1H3,(H,38,39)(H,33,34,41)/t21-,22-,23+,24-,27-/m0/s1
InChI Key
WQJYUGJYFGNIHQ-BKOUBMFISA-N
Smiles
FC1(OC2=C(O1)C=CC(=C2)C2(CC2)C(=O)NC2=CC=C(C(=N2)C=2C=C(C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)C=CC2)C)F