Tetrodaminotoxin

CAS Registry Number®

7724-38-1

CAS Name

Tetrodaminotoxin

Molecular Formula

C11H18N4O7

Molecular Mass

318.28

Cite this Page

Tetrodaminotoxin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=7724-38-1 (retrieved 2025-01-05) (CAS RN: 7724-38-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C11H18N4O7/c12-6-2-4-9(19,1-16)5-3(17)10(2,15-8(13)14-6)7(18)11(20,21-4)22-5/h2-7,16-20H,1,12H2,(H3,13,14,15)/t2-,3-,4-,5+,6+,7+,9+,10-,11+/m1/s1

InChIKey

InChIKey=XFOGROMNLHTHEH-PZKHIREQSA-N

SMILES

O[C@H]1[C@]23[C@]([C@@]4([C@](CO)(O)[C@]1(O[C@](O)([C@H]2O)O4)[H])[H])([C@@H](N)N=C(N)N3)[H]

Canonical SMILES

OCC1(O)C2OC3(O)OC1C4C(N=C(N)NC4(C2O)C3O)N

Other Names for this Substance

  • 5,9:7,10a-Dimethano-10aH-[1,3]dioxocino[6,5-d]pyrimidine-7,10,11,12-tetrol, 4-aminooctahydro-12-(hydroxymethyl)-2-imino-, (4R,4aR,5R,7S,9S,10S,10aR,11S,12S)-
  • Tetrodotoxin, 4-amino-4-deoxy-, (4α)-
  • (4R,4aR,5R,7S,9S,10S,10aR,11S,12S)-4-Aminooctahydro-12-(hydroxymethyl)-2-imino-5,9:7,10a-dimethano-10aH-[1,3]dioxocino[6,5-d]pyrimidine-7,10,11,12-tetrol
  • Tetrodaminotoxin
  • 4-Aminodeoxytetrodotoxin

Deleted or Replaced CAS Registry Numbers

2054-84-4, 16998-62-2, 17289-94-0

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