Catalogue Number: CD896
Canagliflozin 3-O-β-D-glucuronide
(1S)-1,5-Anhydro-1-C-[3-[[5-(4-fluorophenyl)-2-thienyl]methyl]-4-methylphenyl]-3-O-β-D-glucopyranuronosyl-D-glucitol
Categories
Properties
- CAS Number
- N/A
- Molecular Formula
- C30H33FO11S
- Molecular Weight
- 620.64
- Chemical Purity
- Min. 97% [HPLC-UVD]
- Appearance
- Off-White Solid
- Solubility
- DMSO, MeOH, H2O
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,6R)-6-[(2R,3R,4R,5S,6S)-6-(3-{[5-(p-Fluorophenyl)-2-thienyl]methyl}-4-[methyl]phenyl)-3,5-dihydroxy-2-(hydroxymethyl)tetrahydro-2H-pyran-4-yloxy]-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
InChI
InChI=1S/C30H33FO11S/c1-13-2-3-15(10-16(13)11-18-8-9-20(43-18)14-4-6-17(31)7-5-14)26-25(37)27(21(33)19(12-32)40-26)41-30-24(36)22(34)23(35)28(42-30)29(38)39/h2-10,19,21-28,30,32-37H,11-12H2,1H3,(H,38,39)/t19-,21-,22+,23+,24-,25+,26+,27+,28+,30-/m1/s1
InChI Key
TYOYRLJPOYQWCE-OBOFXUEZSA-N
Smiles
FC1=CC=C(C=C1)C1=CC=C(S1)CC=1C=C(C=CC1C)[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)O