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6,7-Dichloro-5-((dimethylamino)sulfonyl)-2,3-dihydro-2-benzofurancarboxylic acid

HCID 59802
NotesReactions

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Basic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
103968-87-2
Standard SMILES
CN(C)S(=O)(=O)c1cc2c(c(Cl)c1Cl)OC(C(=O)O)C2
InChIKey
ZTFUDCAAHOVUPH-UHFFFAOYSA-N
Molecular formula
C11H11Cl2NO5S
Average molar mass
340.2 g/mol
Monoisotopic mass
338.973499

Names & identifiers

Preferred name
6,7-Dichloro-5-((dimethylamino)sulfonyl)-2,3-dihydro-2-benzofurancarboxylic acid
IUPAC
6,7-dichloro-5-(dimethylsulfamoyl)-2,3-dihydro-1-benzofuran-2-carboxylic acid
English name
S 8666
Molecular weight
0

Names & synonyms

103968-87-2S 8666S-86666,7-dichloro-5-(N,N-dimethylsulfamoyl)-2,3-dihydrobenzofuran-2-carboxylic acid2-Benzofurancarboxylic acid, 6,7-dichloro-5-((dimethylamino)sulfonyl)-2,3-dihydro-RefChem:9136736,7-Dichloro-5-((dimethylamino)sulfonyl)-2,3-dihydro-2-benzofurancarboxylic acid6,7-dichloro-5-(dimethylsulfamoyl)-2,3-dihydro-1-benzofuran-2-carboxylic acid5-dimethylsulfamoyl-6,7-dichloro-2,3-dihydrobenzofuran-2-carboxylic acid108940-99-4S-8666 (-)(S)-2,3-Dihydro-6,7-dichloro-5-((dimethylamino)sulfonyl)-2-benzofurancarboxylic acid
Show more names
(S)-(-)-DBCA(R)-(+)-DBCA[R,(+)]-S-8666[S,(-)]-S-86666,7-Dichloro-5-[(dimethylamino)sulfonyl]-2,3-dihydro-2-benzofurancarboxylic acid[S,(-)]-6,7-Dichloro-5-[(dimethylamino)sulfonyl]-2,3-dihydrobenzofuran-2α-carboxylic acid[R,(+)]-6,7-Dichloro-5-[(dimethylamino)sulfonyl]-2,3-dihydrobenzofuran-2β-carboxylic acid
2,3-Dihydro-6,7-dichloro-5-((dimethylamino)sulfonyl)-2-benzofurancarboxylic acid2-Benzofurancarboxylic acid, 2,3-dihydro-6,7-dichloro-5-((dimethylamino)sulfonyl)-, (S)-2-Benzofurancarboxylicacid, 6,7-dichloro-5-[(dimethylamino)sulfonyl]-2,3-dihydro-orb1695347SCHEMBL9512820CHEMBL4763396DTXSID00908698ZTFUDCAAHOVUPH-UHFFFAOYSA-N

Properties

Computed structural propertiesFilling in

XLogP
2
Topological polar surface area
92.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
3
Heavy atoms
20
Formal charge
0
Complexity
492

Chemistry & industry

Applications

DescriptionS 8666 is a potent diuretic with uricosuric action.

Suppliers5 total

上海德轩医药科技有限公司[email protected] · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国(陶术生物)4008200310 15002144251 · [email protected]
TargetMol中国(陶术生物)15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]

Related reactions

2 records
New reaction record
HRID 161237 reaction equation
HRID 161237As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 542748 reaction equation
HRID 542748As productuspto-grants-1987_04

Compound notes

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On this pageBasic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes

Database identifiers

CAS
103968-87-2、108940-99-4
PubChem CID
59802
DTXSID
DTXSID00908698
ChEMBL
CHEMBL4763396
Nikkaji
J126.205J