Catalogue Number: ED383
Empagliflozin 3-O-β-D-glucuronide
(1S)-1,5-Anhydro-1-C-[4-chloro-3-[[4-[[(3S)-tetrahydro-3-furanyl]oxy]phenyl]methyl]phenyl]-3-O-β-D-glucopyranuronosyl-D-glucitol
Categories
Properties
- CAS Number
- N/A
- Molecular Formula
- C29H35ClO13
- Molecular Weight
- 627.03
- Chemical Purity
- Min. 95% [1H-NMR]
- Appearance
- White Amorphous 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.
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Search Terms
IUPAC Name
(2S,3S,4S,5R,6R)-6-(((2S,3S,4R,5R,6R)-2-(4-Chloro-3-(4-(((S)-tetrahydrofuran-3-yl)oxy)benzyl)phenyl)-3,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
InChI
InChI=1S/C29H35ClO13/c30-18-6-3-14(10-15(18)9-13-1-4-16(5-2-13)40-17-7-8-39-12-17)25-24(36)26(20(32)19(11-31)41-25)42-29-23(35)21(33)22(34)27(43-29)28(37)38/h1-6,10,17,19-27,29,31-36H,7-9,11-12H2,(H,37,38)/t17-,19+,20+,21-,22-,23+,24-,25-,26-,27-,29+/m0/s1
InChI Key
BQXKIDMRXJXROR-MFDKXCQCSA-N
Smiles
ClC1=C(C=C(C=C1)[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)O)CO)CC1=CC=C(C=C1)O[C@@H]1COCC1