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1130901-04-0

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1130901-04-0 Structure

1130901-04-0 Structure
IdentificationBack Directory
[Name]

Arbidol Impurity 1
[CAS]

1130901-04-0
[Synonyms]

Demethyl Arbidol
Arbidol Impurity 1
Arbidol Impurity 53
Ethyl 6-bromo-5-hydroxy-1-methyl-4-((methylamino)methyl)-2-((phenylthio)methyl)-1H-indole-3-carboxylate
1H-Indole-3-carboxylic acid, 6-bromo-5-hydroxy-1-methyl-4-[(methylamino)methyl]-2-[(phenylthio)methyl]-, ethyl ester
[Molecular Formula]

C21H23BrN2O3S
[MOL File]

1130901-04-0.mol
[Molecular Weight]

463.39
Chemical PropertiesBack Directory
[Boiling point ]

604.5±55.0 °C(Predicted)
[density ]

1.42±0.1 g/cm3(Predicted)
[pka]

6.44±0.50(Predicted)
[InChI]

InChI=1S/C21H23BrN2O3S/c1-4-27-21(26)19-17(12-28-13-8-6-5-7-9-13)24(3)16-10-15(22)20(25)14(11-23-2)18(16)19/h5-10,23,25H,4,11-12H2,1-3H3
[InChIKey]

JIQJHSYZKOCTIF-UHFFFAOYSA-N
[SMILES]

N1(C)C2=C(C(CNC)=C(O)C(Br)=C2)C(C(OCC)=O)=C1CSC1=CC=CC=C1
Hazard InformationBack Directory
[Uses]

Demethyl Arbidol is an impurity of Arbidol Hydrochloride (A766000) which is a medicinal agent for treating viral infections.
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