Basic information
- Standard SMILES
Cc1cc(=O)oc2cc(OS(=O)(=O)O)c(OS(=O)(=O)O)cc12- InChIKey
SZNQDPUZKFSCNG-UHFFFAOYSA-N- Molecular formula
- C10H8O10S2
- Average molar mass
- 352.3 g/mol
- Monoisotopic mass
- 351.95588846
Overview
Sulmarin is a member of coumarins.
Names & identifiers
- Preferred name
- Sulmarin
- IUPAC
- (4-methyl-2-oxo-6-sulfooxychromen-7-yl) hydrogen sulfate
- English name
- 4-METHYL-6,7-BIS(SULFOXY)-2H-1-BENZOPYRAN-2-ONE DISODIUM SALT TRIHYDRATE
- Molecular formula
- C10H8O10S2
- Molecular weight
- 352.29
Names & synonyms
Sulmarin29334-07-4SulmarinaSulmarine4-methyl-2-oxo-2H-chromene-6,7-diyl bis(hydrogen sulfate)(4-methyl-2-oxo-6-sulfooxychromen-7-yl) hydrogen sulfateIdro P24-Methylesculetindisulfonic AcidM.G. 1436,7-Dihydroxy-4-methylcoumarin bis(hydrogen sulfate)73W96524XT[4-methyl-2-oxo-6-(sulfooxy)-2H-chromen-7-yl]oxidanesulfonic acid
Show more names
MG-1434-Methyl-6,7-bis(sulfooxy)-2H-1-benzopyran-2-one2H-1-Benzopyran-2-one, 4-methyl-6,7-bis(sulfooxy)-4-METHYL-6,7-BIS(SULFOXY)-2H-1-BENZOPYRAN-2-ONE DISODIUM SALT TRIHYDRATE4-METHYL-6,7-BIS(SULFOXY)-2H-1-BENZOPYRAN-2-ONE DISODIUM SALT TRIHYDRATE 98%4-Methyl-6,7-bis(sulfoxy)-2H-1-benzopyran-2-one, disodium salt, trihydrate,98%
SulmarinumIdro P(sub 2)Sulmarin [USAN:INN]Sulmarine [INN-French]Sulmarinum [INN-Latin]Sulmarina [INN-Spanish]UNII-73W96524XTEINECS 249-567-8
Database identifiers
- CAS
29334-07-4- PubChem CID
- 13963
- DTXSID
DTXSID10183570- ChEMBL
CHEMBL2104898- ChEBI
CHEBI:135485- UNII
- 73W96524XT
- EC Number
- 249-567-8
- Nikkaji
- J20.365C
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 170 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 680
Physicochemical properties
- storage temp.
- 0 · 0-6°C
- solubility
- DMSO (Slightly), Water (Slightly)
- form
- Solid
- color
- Light Yellow
- CAS DataBase Reference
- 29334 · 29334-07-4
- FDA UNII
- 73 W96524XT · 73W96524XT
- Safety Statements
- 24 · 24/25
Safety & regulation
Safety data
- safety_code
- 24/25
Chemistry & industry
Applications
Uses4-Methylesculetindisulfonic Acid exhibited potential intestinal anti-inflammatory activity in trinitrobenzenesulphonic acid model of rat colitis.
Upstream & downstream products
Upstream raw materials
Suppliers5 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Additional notes
DefinitionChEBI: Sulmarin is a member of coumarins.
Related reactions
0 records
No reaction records under the current filter.
Linked notes
Loading…