1130901-04-0

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1130901-04-0 Structure

Identification	Back 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 Properties	Back 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 Information	Back Directory
[Uses] Demethyl Arbidol is an impurity of Arbidol Hydrochloride (A766000) which is a medicinal agent for treating viral infections.

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