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Substance Name: Anhydrotetrodotoxin
RN: 13072-89-4
InChIKey: STNXQECXKDMLJK-NLWUVLGBSA-N

Note

  • Sodium channel blocker; from the toad Atelopus oxyrhynchus.

Molecular Formula

  • C11-H15-N3-O7

Molecular Weight

  • 301.254
 
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Names and Synonyms

Name of Substance

  • Anhydrotetrodotoxin

Synonyms

  • (4-beta,9-beta)-4,9-Dideoxy-4,9-epoxytetrodotoxin
  • 4,9-Anhydrotetrodotoxin
  • 4-beta,9-beta-Dideoxy-4,9-epoxytetrodotoxin
  • Anhydroepitetrodotoxin
  • Anhydrotetrodotoxin

Systematic Names

  • 6,10-Epoxy-4,8,11a-metheno-11aH-oxocino(4,3-f)(1,3,5)oxadiazepine-6,9,11-triol, 2-amino-1,4,5a,6,8,9,10,11-octahydro-9-(hydroxymethyl)-, (4S,5aS,6S,8R,9S,10S,11S,11aR,12R)-
  • Tetrodotoxin, 4,9-anhydro-
  • Tetrodotoxin, 4,9-dideoxy-4,9-epoxy-, (4-beta,9-beta)- (9CI)
  • Tetrodotoxin, 4,9-dideoxy-4,9-epoxy-, (4beta,9beta)-

Registry Numbers

CAS Registry Number

  • 13072-89-4

System Generated Number

  • 0013072894

Structure Descriptors

InChI

1S/C11H15N3O7/c12-8-13-6-2-4-9(17,1-15)5-3(16)10(2,14-8)7(19-6)11(18,20-4)21-5/h2-7,15-18H,1H2,(H3,12,13,14)/t2?,3-,4?,5+,6?,7+,9+,10-,11+/m1/s1

InChIKey

STNXQECXKDMLJK-NLWUVLGBSA-N

Smiles

O1[C@]2([C@@H]3[C@@]45NC(=N[C@@H](O3)[C@@H]5[C@@H]1[C@@]([C@@H]([C@H]4O)O2)(CO)O)N)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 986ug/kg (0.986mg/kg)   European Journal of Pharmacology. Vol. 3, Pg. 58, 1968.
mouse LD50 oral 16900ug/kg (16.9mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: TREMOR
Japanese Journal of Pharmacology. Vol. 17, Pg. 267, 1967.