Catalogue Number: DD373
Dapagliflozin 3-O-β-D-glucuronide
(1S)-1,5-Anhydro-1-C-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-3-O-β-D-glucopyranuronosyl-D-glucitol
Categories
Properties
- CAS Number
- 1351438-75-9
- Molecular Formula
- C27H33ClO12
- Molecular Weight
- 585.00
- Chemical Purity
- Min. 98% [HPLC-UVD]
- Appearance
- White Crystalline Solid
- Melting Point
- 190-193 °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.
- Shipping Conditions
- Ambient, Express Only
- Tariff Code (United States)
- 2938900000
Safety
- Signal Word
- Warning
- Pictogram
- GHS Classification
- Acute Toxicity, Oral (Category 4)
- Hazard Statements
- H302: Harmful if swallowed
- Precautionary Statements
-
P264: Wash skin thoroughly after handling.
P301 + P312 + P330: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell. Rinse mouth.
Search Terms
IUPAC Name
(2S,3S,4S,5R,6R)-6-[(2S,3S,4R,5R,6R)-2-{4-Chloro-3-[(p-ethoxyphenyl)methyl]phenyl}-3,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-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)23-22(34)24(18(30)17(11-29)38-23)39-27-21(33)19(31)20(32)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
ZYZULHSUKTZGTR-PTNNFGGUSA-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)OCC