Catalogue Number: SD501
Sulindac acyl-β-D-glucuronide
1-[(1Z)-5-Fluoro-2-methyl-1-[[4-(methylsulfinyl)phenyl]methylene]-1H-indene-3-acetate] β-D-glucopyranuronic acid
Categories
Properties
- CAS Number
- 60018-36-2
- Molecular Formula
- C26H25FO9S
- Molecular Weight
- 532.54
- Chemical Purity
- Min. 95% [1H-NMR]
- Appearance
- Yellow 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
- 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-((3Z)-6-Fluoro-2-methyl-3-((4-methylsulfinylphenyl)methylene)inden-1-yl)acetyl)oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
InChI
InChI=1S/C26H25FO9S/c1-12-17(9-13-3-6-15(7-4-13)37(2)34)16-8-5-14(27)10-19(16)18(12)11-20(28)35-26-23(31)21(29)22(30)24(36-26)25(32)33/h3-10,21-24,26,29-31H,11H2,1-2H3,(H,32,33)/b17-9-/t21-,22-,23+,24-,26+,37?/m0/s1
InChI Key
ZGOXLKUBXKIPQX-AEHOTZTESA-N
Smiles
FC1=CC=C2\C(\C(=C(C2=C1)CC(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)C)=C/C1=CC=C(C=C1)S(=O)C