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Substance Name: 2,1,3-Benzothia(S IV)diazole-4,7-diol, 5-methyl-, bis(disodiumphosphate)(ester)
RN: 53552-25-3
InChIKey: CXLMXTCJTPUTCW-UHFFFAOYSA-J

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H4-N2-O8-P-S.4Na

Molecular Weight

  • 430.0886
 
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Names and Synonyms

Synonym

  • 5-Methyl-2,1,3-benzothia(S IV)diazole-4,7-diol bis(disodiumphosphate)(ester)

Systematic Name

  • 2,1,3-Benzothia(S IV)diazole-4,7-diol, 5-methyl-, bis(disodiumphosphate)(ester)

Registry Numbers

CAS Registry Number

  • 53552-25-3

System Generated Number

  • 0053552253

Molecular Formulas

Molecular Formula

  • C7-H4-N2-O8-P-S.4Na

Molecular Formula Fragments

  • C7-H4-N2-O8-P-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C7H8N2O8P2S.4Na/c1-3-2-4(16-18(10,11)12)5-6(9-20-8-5)7(3)17-19(13,14)15;;;;/h2H,1H3,(H2,10,11,12)(H2,13,14,15);;;;/q;4*+1/p-4

InChIKey

CXLMXTCJTPUTCW-UHFFFAOYSA-J

Smiles

Cc1cc(c2c(c1OP(=O)([O-])[O-])N=S=N2)OP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 150mg/kg (150mg/kg)   Radiobiologiya. Vol. 14, Pg. 607, 1974.