Catalogue Number: CD705
Celecoxib carboxylic acid acyl-β-D-glucuronide
1-[4-[1-[4-(Aminosulfonyl)phenyl]-3-(trifluoromethyl)-1H-pyrazol-5-yl]benzoate] β-D-glucopyranuronic acid
Categories
Properties
- CAS Number
- 264236-79-5
- Molecular Formula
- C23H20F3N3O10S
- Molecular Weight
- 587.48
- Chemical Purity
- Min. 95% [HPLC-UVD]
- Appearance
- White Crystalline Solid
- Solubility
- DMSO, MeOH (weakly)
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
Not a dangerous substance according to GHS.
Search Terms
IUPAC Name
(2S,3S,4S,5R,6S)-6-{p-[2-(p-Aminosulfonylphenyl)-5-(trifluoromethyl)-2H-pyrazol-3-yl]benzoyloxy}-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
InChI
InChI=1S/C23H20F3N3O10S/c24-23(25,26)15-9-14(29(28-15)12-5-7-13(8-6-12)40(27,36)37)10-1-3-11(4-2-10)21(35)39-22-18(32)16(30)17(31)19(38-22)20(33)34/h1-9,16-19,22,30-32H,(H,33,34)(H2,27,36,37)/t16-,17-,18+,19-,22-/m0/s1
InChI Key
ZSTBSABHKHAHNU-QUXXCFOZSA-N
Smiles
NS(=O)(=O)C1=CC=C(C=C1)N1N=C(C=C1C1=CC=C(C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)C=C1)C(F)(F)F