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Substance Name: Ebrotidine S,S-dioxide
RN: 152675-29-1
InChIKey: JFIWRQSYBXTJRY-UHFFFAOYSA-N

Note

  • A metabolite of ebrotidine.

Molecular Formula

  • C14-H17-Br-N6-O4-S3

Molecular Weight

  • 509.428
 
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Names and Synonyms

Name of Substance

  • Ebrotidine S,S-dioxide

Systematic Name

  • Benzenesulfonamide, N-(((2-(((2-((aminoiminomethyl)amino)-4-thiazolyl)methyl)sulfonyl)ethyl)amino)methylene)-4-bromo-

Registry Numbers

CAS Registry Number

  • 152675-29-1

System Generated Number

  • 0152675291

Structure Descriptors

InChI

1S/C14H17BrN6O4S3/c15-10-1-3-12(4-2-10)28(24,25)19-9-18-5-6-27(22,23)8-11-7-26-14(20-11)21-13(16)17/h1-4,7,9H,5-6,8H2,(H,18,19)(H4,16,17,20,21)

InChIKey

JFIWRQSYBXTJRY-UHFFFAOYSA-N

Smiles

c1(ccc(cc1)Br)S(=O)(=O)\N=C\NCCS(=O)(Cc1nc(sc1)NC(=N)N)=O