4-Methylumbelliferyl-beta-D-glucuronide

4-Methylumbelliferyl bD-glucuronide dihydrate (MUG) 4-methylumbelliferone beta-D-glucuronide is a beta-D-glucosiduronic acid having a 4-methylumbelliferyl substituent at the anomeric position. A hyaluronan synthesis inhibitor, it is anti-tumourigenic for various malignant tumours. It has a role as a chromogenic compound , an antineoplastic agent and a hyaluronan synthesis inhibitor. It is a member of coumarins, a monosaccharide derivative and a beta-D-glucosiduronic acid. It derives from a 4-methylumbelliferone. It is a conjugate acid of a 4-methylumbelliferone beta-D -glucuronide CAS Number 6160-80-1 Product Name 4-Methylumbelliferyl glucuronide IUPAC Name (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-methyl-2-oxochromen-7-yl)oxyoxane-2-carboxylic acid Molecular Formula C16H16O9 Molecular Weight 352.29 g/mol ikB InChI=1S/C16H16O9/c1-6-4-10(17)24-9-5-7(2-3-8(6)9)23-16-13(20)11(18)12(19) 14(25-16)15(21)22/h2-5,11-14,16,18-20H,1H3,(H,21,22)/t11-,12-,13+,14-,16+ /m0/s1 InChI Key ARQXEQLMMNGFDU-JHZZJYKESA-N SMILES CC1=CC(=O)OC2=C1C=CC(=C2)OC3C(C(C(C(O3)C(=O)O)O)O)O Synonyms 4-Methylumbelliferone ?-D-Glucuronide; 4-Methyl-2-oxo-2H-1-benzopyran-7-yl ?-D-Glucopyranosiduronic Acid; MUG; Canonical SMILES CC1=CC(=O)OC2=C1C=CC(=C2)OC3C(C(C(C(O3)C(=O)O)O)O)O Isometric SMILES CC1=CC(=O)OC2=C1C=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3 )C(=O)O)O)O)O CAS No: 881005-91-0,6160-80-1 Synonyms: MUG4-Methylumbelliferyl bD-Glucopyranosiduronic acid MDL No: MFCD00151678 Chemical Formula: C16H16O9?2H2O Molecular Weight: 388.32 COA: Product name : 4-Methylumbelliferyl beta-D-glucuronide dihydrate CAS: 6160-80-1 MF : C 16 H 16 O 9 .2H 2 O M.W.: 352.3 (anhydrous) Batch No : 20130212 Quantity .: 12.6g Items Standards Results Appearance white crystal powder Complies Solubility Soluble in hot DMF, insoluble in ether Complies Identification IR and HPLC Complies Appearance of solution Dissolve0.5gin 10mL of DMF, and the solution should be clear Complies Specific rotation ([?] 22/D , c =0.25 inH 2 O) -100 o ~ -110 o -105.5o ? Water Content Max.15% 10.5% Any other impurity Max. 0.5% Complies Heavy metal Max. 20ppm Complies Residue on ignition Max. 0.5% 0.1% 4-Methylumbelliferone Max. 50ppm Complies Assay by HPLC Min. 98% 99.2%