Sulmarin

Base Information

• Chemical Name: Sulmarin
• CAS No.: 29334-07-4
• Molecular Formula: C10H8 O10 S2
• Molecular Weight: 352.3
• Hs Code.: 2932209090
• European Community (EC) Number: 249-567-8
• UNII: 73W96524XT
• DSSTox Substance ID: DTXSID10183570
• Nikkaji Number: J20.365C
• Wikidata: Q27266210
• NCI Thesaurus Code: C74242
• ChEMBL ID: CHEMBL2104898
• Mol file: 29334-07-4.mol

Synonyms:Sulmarin;29334-07-4;Sulmarinum;Sulmarina;Sulmarine;Idro P2;Idro P(sub 2);Sulmarin [USAN:INN];Sulmarine [INN-French];Sulmarinum [INN-Latin];Sulmarina [INN-Spanish];M.G. 143;(4-methyl-2-oxo-6-sulfooxychromen-7-yl) hydrogen sulfate;4-methyl-2-oxo-2H-chromene-6,7-diyl bis(hydrogen sulfate);4-Methylesculetindisulfonic Acid;UNII-73W96524XT;EINECS 249-567-8;6,7-Dihydroxy-4-methylcoumarin bis(hydrogen sulfate);73W96524XT;4-Methyl-6,7-cumarindiyl bis(hydrogensulfat);2H-1-Benzopyran-2-one, 4-methyl-6,7-bis(sulfooxy)-;C10H8O10S2;MG-143;C10-H8-O10-S2;4-methylesculetin-6,7-disulfuric ester;6,7-dihydroxy-4-methylcoumarin disulfate;4-Methyl-6,7-bis(sulfooxy)-2H-1-benzopyran-2-one;Coumarin, 6,7-dihydroxy-4-methyl-, bis(hydrogen sulfate);SULMARIN [USAN];Sulmarin (USAN/INN);SULMARIN [INN];SULMARIN [MI];Idro P2 (TN);SULMARIN [WHO-DD];SCHEMBL635692;CHEMBL2104898;DTXSID10183570;CHEBI:135485;FT-0630549;D05965;Q27266210;4-methyl-2-oxo-2H-chromene-6,7-diylbis(hydrogensulfate);[4-methyl-2-oxo-6-(sulfooxy)-2H-chromen-7-yl]oxidanesulfonic acid;4-METHYL-6,7-BIS(SULFOXY)-2H-1-BENZOPYRAN-2-ONEDISODIUMSALTTRIHYDRATE

Chemical Property of Sulmarin

Chemical Property:

• PSA: 207.52000
• LogP: 1.74810
• Storage Temp.: 0-6°C
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 4
• Exact Mass: 351.95588879
• Heavy Atom Count: 22
• Complexity: 680

Purity/Quality:

98%min ^*data from raw suppliers

4-MethylesculetindisulfonicAcid ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=O)OC2=CC(=C(C=C12)OS(=O)(=O)O)OS(=O)(=O)O
• Uses: 4-Methylesculetindisulfonic Acid exhibited potential intestinal anti-inflammatory activity in trinitrobenzenesulphonic acid model of rat colitis.

Technology Process of Sulmarin

There total 1 articles about Sulmarin which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

6,7-dihydroxy-4-methylcoumarin (529-84-0) → 4-methyl-6,7-bis-sulfooxy-coumarin (29334-07-4)

Guidance literature:

With chlorosulphuric acid;

upstream raw materials:

6,7-dihydroxy-4-methylcoumarin