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Substance Name: Tetrodotoxin, 4,9-anhydro-, 8,8-diacetate
RN: 13285-84-2
InChIKey: WNFMBRACPHYMJX-JAIQPURXSA-N

Molecular Formula

  • C15-H19-N3-O9

Molecular Weight

  • 385.327
 
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Names and Synonyms

Synonyms

  • 6,11-Diacetylanhydrotetrodotoxin
  • Diacetylanhydrotetrodotoxin
  • Epitetrodotoxin, anhydro-, diacetate

Systematic Names

  • Tetrodotoxin, 4,9-anhydro-, 8,8-diacetate
  • Tetrodotoxin, 4,9-dideoxy-4,9-epoxy-, 6,11-diacetate, (4-beta,9-beta)- (9CI)

Registry Numbers

CAS Registry Number

  • 13285-84-2

Other Registry Number

  • 17032-59-6

System Generated Number

  • 0013285842

Structure Descriptors

InChI

1S/C15H19N3O9/c1-4(19)23-3-13(25-5(2)20)8-6-10-17-12(16)18-14(6)7(21)9(13)27-15(22,26-8)11(14)24-10/h6-11,21-22H,3H2,1-2H3,(H3,16,17,18)/t6?,7-,8?,9-,10?,11+,13+,14?,15-/m1/s1

InChIKey

WNFMBRACPHYMJX-JAIQPURXSA-N

Smiles

O1[C@@]2([C@@H]3[C@@]45[C@@H]([C@@H]([C@@]([C@@H]1[C@@H]5[C@@H](O3)N=C(N4)N)(COC(C)=O)OC(=O)C)O2)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 50mg/kg (50mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 12, Pg. 1357, 1964.
mouse LD50 intravenous 94400ug/kg (94.4mg/kg)   European Journal of Pharmacology. Vol. 3, Pg. 58, 1968.