Catalogue Number: LD700
Lumiracoxib acyl-β-D-glucuronide
1-[2-[(2-Chloro-6-fluorophenyl)amino]-5-methylbenzeneacetate] β-D-glucopyranuronic acid
Categories
Properties
- CAS Number
- 697287-17-5
- Molecular Formula
- C21H21ClFNO8
- Molecular Weight
- 469.85
- Chemical Purity
- Min. 93% [HPLC-UVD]
- Appearance
- Yellow 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.
Avoid basic solutions. - 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,6S)-6-[2-[2-(2-chloro-6-fluoroanilino)-5-methylphenyl]acetyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
InChI
InChI=1S/C21H21ClFNO8/c1-9-5-6-13(24-15-11(22)3-2-4-12(15)23)10(7-9)8-14(25)31-21-18(28)16(26)17(27)19(32-21)20(29)30/h2-7,16-19,21,24,26-28H,8H2,1H3,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1
InChI Key
GEVZOJTWMGGTTK-ZFORQUDYSA-N
Smiles
ClC1=C(NC2=C(C=C(C=C2)C)CC(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)C(=CC=C1)F