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Substance Name: 4-Isothiocyanate-piretanide
RN: 120749-13-5
InChIKey: LHAQGDNTMHFRAI-UHFFFAOYSA-N

Note

  • Derivative of piretanide.

Molecular Weight

  • 415.4487
 
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Names and Synonyms

Name of Substance

  • 4-Isothiocyanate-piretanide

Synonym

  • 4-(4-Isothiocyanatephenoxy)-3-pyrrolidin-1-yl-5-sulfamoylbenzoic acid

Registry Numbers

CAS Registry Number

  • 120749-13-5

System Generated Number

  • 0120749135

Structure Descriptors

InChI

1S/C18H13N3O5S2/c19-28(24,25)16-10-12(18(22)23)9-15(21-7-1-2-8-21)17(16)26-14-5-3-13(4-6-14)20-11-27/h1-10H,(H,22,23)(H2,19,24,25)

InChIKey

LHAQGDNTMHFRAI-UHFFFAOYSA-N

Smiles

NS(=O)(=O)c1cc(cc(c1Oc2ccc(cc2)N=C=S)n3cccc3)C(=O)O