Basic information
- CAS
54935-03-4- Standard SMILES
Cc1cccc2c1NC(=O)C2(c1ccc(OS(=O)(=O)O)cc1)c1ccc(OS(=O)(=O)O)cc1- InChIKey
URNFTLVCQLRCMN-UHFFFAOYSA-N- Molecular formula
- C21H17NO9S2
- Average molar mass
- 491.5 g/mol
- Monoisotopic mass
- 491.03447347
Overview
Sulisatin is an aryl sulfate.
Names & identifiers
- Preferred name
- 1,3-Dihydro-7-methyl-3,3-bis(4-(sulfooxy)phenyl)-2H-indol-2-one
- IUPAC
- [4-[7-methyl-2-oxo-3-(4-sulfooxyphenyl)-1H-indol-3-yl]phenyl] hydrogen sulfate
- English name
- Sulisatine
- Molecular formula
- C21H17NO9S2
- Molecular weight
- 491.49
Names & synonyms
SulisatinSulisatine54935-03-4SulisatinaSulisatinum5EOG8KQT0YDTXSID802034513,3-Bis(4-hydroxyphenyl)-7-methyl-2-indolinone, disodium salt of sulfuric acid diesterRefChem:906881DTXCID801259421,3-Dihydro-7-methyl-3,3-bis(4-(sulfooxy)phenyl)-2H-indol-2-oneSulisatin [INN]
Show more names
DAN603LaxitexDAN-603DAN 6033,3-Bis(4-sulfooxyphenyl)-7-methyl-1,3-dihydro-2H-indol-2-one2H-Indol-2-one, 1,3-dihydro-7-methyl-3,3-bis[4-(sulfooxy)phenyl]-
(7-methyl-2-oxoindoline-3,3-diyl)bis(4,1-phenylene) bis(hydrogen sulfate)[4-[7-methyl-2-oxo-3-(4-sulfooxyphenyl)-1H-indol-3-yl]phenyl] hydrogen sulfateUNII-5EOG8KQT0YSULISATIN [MI]SULISATIN [WHO-DD]orb1701549SCHEMBL1650392CHEMBL2104944
Database identifiers
- CAS
54935-03-4- PubChem CID
- 41238
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 173 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 870
Physicochemical properties
- FDA UNII
- 5 EOG8KQT0Y · 5EOG8KQT0Y
Chemistry & industry
Applications
UsesSulisatin (DAN-603) is an anionic laxative that is hydrolyzed to diphenolic derivatives by bacterial aryl sulfate sulfohydrolases in the colon during oral administration[1].
Suppliers5 total
玺标（上海）科技有限公司18512111473 18512111473 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海安谱实验科技股份有限公司18502138905 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Additional notes
DefinitionChEBI: Sulisatin is an aryl sulfate.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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