| CAS Number | 60318-63-0 |
| Catalog Number | AG00EEGJ(AGN-PC-0SVQ7P) |
| Chemical Name | Fenofibric Acid Acyl-b-D-glucuronide (~90%) |
| IUPAC Name | (2S,3S,4S,5R,6S)-6-[2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid |
| InChI | InChI=1S/C23H23ClO10/c1-23(2,22(31)33-21-18(28)16(26)17(27)19(32-21)20(29)30)34-14-9-5-12(6-10-14)15(25)11-3-7-13(24)8-4-11/h3-10,16-19,21,26-28H,1-2H3,(H,29,30)/t16-,17-,18+,19-,21-/m0/s1 |
| InChI Key | BHOJZVSZYFTIOZ-UNJWAJPSSA-N |
| MDL Number | MFCD08063661 |
| Molecular Formula | C23H23ClO10 |
| Molecular Weight | 494.8757 |
| SMILES | ClC1=CC=C(C(=O)C2=CC=C(OC(C(=O)O[C@@H]3[C@@H]([C@@H]([C@H](C(O3)C(=O)O)O)O)O)(C)C)C=C2)C=C1 |
| UNII | 89RC66Y5GF |
| Synonyms | 60318-63-0,
UNII-89RC66Y5GF,
Fenofibryl D-glucuronide,
89RC66Y5GF,
Fenofibric Acid Acyl-beta-D-glucuronide,
Fenofibryl glucuronide,
Fenofibric acid glucuronide,
Fenofibric Acyl Glucuronide,
ZINC34108463,
Fenofibric Acid Acyl-|A-D-glucuronide,
beta-D-Glucopyranuronic acid, 1-(2-(4-(4-chlorobenzoyl)phenoxy)-2-methylpropanoate),
FT-0668494,
W-203252,
1-[2-[4-(4-Chlorobenzoyl)phenoxy]-2-methylpropanoate] |A-D-Glucopyranuronic Acid,
FENOFIBRYLGLUCURONIDE,
Fenofibric Acid Acyl-?-D-Glucuronide,
CS-O-30508,
CID10028724,
CID 10028724,
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| Complexity | 742 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 5 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 494.098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 34 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 494.877g/mol |
| Monoisotopic Mass | 494.098g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 160A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number