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Substance Name: Betanidin sulfate
RN: 37717-82-1
InChIKey: NNVGPBLBYBOOHJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H14-N2-O8.H2-O4-S

Molecular Weight

  • 484.392
 
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Names and Synonyms

Results Name

  • Betanidin sulfate

Synonyms

  • Betanidin sulfate
  • Betanidine sulfate

Systematic Names

  • 1H-Indolium, 2-carboxy-1-((2,6-dicarboxy-2,3-dihydro-4(1H)-pyridinylidene)ethylidene)-5,6-dihydroxy-, hydroxide, inner salt, sulfate (salt)
  • 2,6-Pyridinedicarboxylic acid, 4-(2-(2-carboxy-2,3-dihydro-5,6-dihydroxy-1H-indol-1-yl)ethenyl)-2,3-dihydro-, (S-(R*,R*))-, sulfate (salt)

Registry Numbers

CAS Registry Number

  • 37717-82-1

System Generated Number

  • 0037717821

Molecular Formulas

Molecular Formula

  • C18-H14-N2-O8.H2-O4-S

Molecular Formula Fragments

  • C18-H14-N2-O8
  • COMPONENT
  • H2-O4-S

Structure Descriptors

InChI

1S/C18H14N2O8.H2O4S/c21-14-6-9-5-13(18(27)28)20(12(9)7-15(14)22)2-1-8-3-10(16(23)24)19-11(4-8)17(25)26;1-5(2,3)4/h1-3,5-7,11H,4H2,(H5,21,22,23,24,25,26,27,28);(H2,1,2,3,4)

InChIKey

NNVGPBLBYBOOHJ-UHFFFAOYSA-N

Smiles

c12\[N+](C(C(O)=O)=Cc1cc(O)c(c2)O)=C/C=C1/C=C([NH+][C@@H](C1)C(=O)[O-])C(O)=O.S(O)(=O)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 170mg/kg (170mg/kg)   Drugs in Japan Vol. 6, Pg. 750, 1982.
mouse LD50 oral 1059mg/kg (1059mg/kg)   Drugs in Japan Vol. 6, Pg. 750, 1982.
mouse LD50 subcutaneous 398mg/kg (398mg/kg)   Drugs in Japan Vol. 6, Pg. 750, 1982.
rat LD50 intraperitoneal 135mg/kg (135mg/kg)   Drugs in Japan Vol. 6, Pg. 750, 1982.
rat LD50 oral 3142mg/kg (3142mg/kg)   Drugs in Japan Vol. 6, Pg. 750, 1982.
rat LD50 subcutaneous 681mg/kg (681mg/kg)   Drugs in Japan Vol. 6, Pg. 750, 1982.