Catalogue Number: MD823
Mycophenolic acid acyl-β-D-glucuronide
1-[(4E)-6-(1,3-Dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-1-oxo-4-hexenoate] β-D-glucopyranuronic acid
Categories
Properties
- CAS Number
- 99043-04-6
- Molecular Formula
- C23H28O12
- Molecular Weight
- 496.46
- Chemical Purity
- Min. 90% [1H-NMR]
- Appearance
- White Amorphous Solid
- 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 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-[(E)-5-(7-Hydroxy-5-methoxy-4-methyl-6-phthalideyl)-3-methyl-3-pentenylcarbonyloxy]-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
InChI
InChI=1S/C23H28O12/c1-9(4-6-11-15(25)14-12(8-33-22(14)31)10(2)19(11)32-3)5-7-13(24)34-23-18(28)16(26)17(27)20(35-23)21(29)30/h4,16-18,20,23,25-28H,5-8H2,1-3H3,(H,29,30)/b9-4+/t16-,17-,18+,20-,23+/m0/s1
InChI Key
QBMSTEZXAMABFF-UEARNRKISA-N
Smiles
OC=1C(=C(C(=C2COC(=O)C12)C)OC)C/C=C(/CCC(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)\C