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Substance Name: Gonyautoxin VIII
RN: 80226-62-6
InChIKey: OKSSKVHGKYJNLL-LJRZAWCWSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H17-N7-O11-S2

Molecular Weight

  • 475.4143
 
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Names and Synonyms

Name of Substance

  • Gonyautoxin VIII

Synonyms

  • C2 Toxin
  • Carbamic acid, sulfo-, C-((2,6-diamino-3a,4,9,10-tetrahydro-10,10-dihydroxy-9-(sulfooxy)-1H,8H-pyrrolo(1,2-c)purin-4-yl)methyl) ester, (3aS-(3aalpha,4alpha,9alpha,10aR*))-
  • Carbamoyl-N-sulfo-11beta-hydroxysaxitoxin sulfate
  • Carbamoyl-N-sulfogonyautoxin III
  • Gonyautoxin 8
  • Gonyautoxin VIII
  • GTX VIII
  • GTX8
  • N-Sulfocarbamoylgonyautoxin 3
  • Protogonyautoxin 2
  • Protogonyautoxin II
  • PX-2
  • Toxin C2
  • Toxin C2 from Protogonyaulax
  • Toxin PX2

Systematic Name

  • Carbamic acid, sulfo-, C-(((3aS,4R,9S,10aS)-2,6-diamino-3a,4,9,10-tetrahydro-10,10-dihydroxy-9-(sulfooxy)-1H,8H-pyrrolo(1,2-c)purin-4-yl)methyl) ester

Registry Numbers

CAS Registry Number

  • 80226-62-6

Other Registry Number

  • 80248-94-8

System Generated Number

  • 0080226626

Molecular Formulas

Molecular Formula

  • C10-H17-N7-O11-S2

Molecular Formula Fragments

  • Br
  • C20-H20-N4-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C10H17N7O11S2/c11-6-14-5-3(2-27-8(18)16-29(21,22)23)13-7(12)17-1-4(28-30(24,25)26)10(19,20)9(5,17)15-6/h3-5,19-20H,1-2H2,(H2,12,13)(H,16,18)(H3,11,14,15)(H,21,22,23)(H,24,25,26)/t3-,4-,5-,9-/m0/s1

InChIKey

OKSSKVHGKYJNLL-LJRZAWCWSA-N

Smiles

NC1=N[C@H]2[C@H](COC(=O)NS(=O)(=O)O)N=C(N)N3C[C@H](OS(=O)(=O)O)C(O)(O)[C@]23N1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 2300ug/kg (2.3mg/kg)   Toxicology and Applied Pharmacology. Vol. 5, Pg. 588, 1963.