6160-80-1, 4-Methylumbelliferyl beta-D-glucuronide dihydrate, MUG, CAS:6160-80-1

MUG
, 4-Methylumbelliferyl beta-D-glucuronide dihydrate,
CAS:6160-80-1
C16H16O9·2H2O / 388.32
MFCD00151678

4-Methylumbelliferyl b-D-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
InChI	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 β-D-Glucuronide; 4-Methyl-2-oxo-2H-1-benzopyran-7-yl β-D-Glucopyranosiduronic Acid; MUG;
Canonical SMILES	CC1=CC(=O)OC2=C1C=CC(=C2)OC3C(C(C(C(O3)C(=O)O)O)O)O
Isomeric 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 b-D-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 M.F.: C₁₆H₁₆O₉.2H₂OM.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 10mLof DMF, and the solution should be clear	Complies
Specific rotation ( [α]^22/D, c =0.25 inH₂O)	-100^o ~ -110^o	-105.5^o
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%