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Substance Name: Caldaret monohydrate
RN: 192509-24-3
UNII: 2SH110E854
InChIKey: ZRQKZWAOIRVBFD-UHFFFAOYSA-N

Molecular Formula

  • C11-H16-N2-O3-S.H2-O

Molecular Weight

  • 274.3392
 
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Names and Synonyms

Name of Substance

  • Caldaret monohydrate

Synonyms

  • Benzenesulfonic acid, 5-methyl-2-(1-piperazinyl)-, monohydrate
  • Caldaret monohydrate
  • MCC-135
  • UNII-2SH110E854

Registry Numbers

CAS Registry Number

  • 192509-24-3

FDA UNII

  • 2SH110E854

System Generated Number

  • 0192509243

Structure Descriptors

InChI

1S/C11H16N2O3S.H2O/c1-9-2-3-10(11(8-9)17(14,15)16)13-6-4-12-5-7-13;/h2-3,8,12H,4-7H2,1H3,(H,14,15,16);1H2

InChIKey

ZRQKZWAOIRVBFD-UHFFFAOYSA-N

Smiles

Cc1ccc(c(c1)S(=O)(=O)O)N2CCNCC2.O