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Substance Name: 4-(5-Chloro-2-oxo-3(2H)-benzothiazolyl)acetyl-1-piperazinesulfonic acid
RN: 87925-15-3
InChIKey: YPYKSVDLXUPDFN-UHFFFAOYSA-M

Note

  • Metabolite of tiaramide.

Molecular Weight

  • 429.945
 
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Names and Synonyms

Name of Substance

  • 4-(5-Chloro-2-oxo-3(2H)-benzothiazolyl)acetyl-1-piperazinesulfonic acid

Synonyms

  • 4-Cobps
  • Potassium 4-(5-chloro-2-oxo-3(2H)-benzothiazolyl)acetyl-1-piperazine sulfonate

Registry Numbers

CAS Registry Number

  • 87925-15-3

System Generated Number

  • 0087925153

Structure Descriptors

InChI

1S/C13H14ClN3O5S2.K/c1-8(18)11-7-15(4-5-16(11)24(20,21)22)17-10-6-9(14)2-3-12(10)23-13(17)19;/h2-3,6,11H,4-5,7H2,1H3,(H,20,21,22);/q;+1/p-1

InChIKey

YPYKSVDLXUPDFN-UHFFFAOYSA-M

Smiles

[K+].C1[C@@H]([N@@](CC[N@@]1n1c(sc2c1cc(cc2)Cl)=O)S(=O)(=O)[O-])C(=O)C