Catalogue Number: DD372
Dapagliflozin 2-O-β-D-glucuronide
(1S)-1,5-Anhydro-1-C-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-2-O-β-D-glucopyranuronosyl-D-glucitol
Categories
Properties
- CAS Number
- 2078003-84-4
- Molecular Formula
- C27H33ClO12
- Molecular Weight
- 585.00
- Chemical Purity
- Min. 95% [1H-NMR]
- Appearance
- White Crystalline Solid
- Melting Point
- 264-267 °C
- Solubility
- DMSO, H2O, 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.
Avoid acidic solutions. - 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-[(2S,3R,4S,5S,6R)-2-{4-Chloro-3-[(p-ethoxyphenyl)methyl]phenyl}-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yloxy]-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
InChI
InChI=1S/C27H33ClO12/c1-2-37-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)28)23-24(20(32)18(30)17(11-29)38-23)39-27-22(34)19(31)21(33)25(40-27)26(35)36/h3-8,10,17-25,27,29-34H,2,9,11H2,1H3,(H,35,36)/t17-,18-,19+,20+,21+,22-,23+,24-,25+,27-/m1/s1
InChI Key
HXUUJZIZPQLPNN-PYKQJYROSA-N
Smiles
ClC1=C(C=C(C=C1)[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)O)O)CO)CC1=CC=C(C=C1)OCC