Chemical Compound

Tetrodotoxin citrate

CAS Registry Number 18660-81-6
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Tetrodotoxin citrate chemical structure
Primary Record

Tetrodotoxin citrate

In stock
7,835 g
Purity
99.4 %
CAS
18660-81-6

Compound Identifiers & Properties

CAS
18660-81-6
PubChem CID
137699562
SMILES
C(C(=O)O)C(CC(=O)O)(C(=O)O)O.C(C1([C@H]2C(C34[C@@H](C1O[C@@]([C@H]3O)(O2)O)[C@H](N=C(N4)N)O)O)O)O
Canonical SMILES
NC1=N[C@H](O)[C@@H]2C3O[C@]4(O)O[C@H](C(O)C2(N1)[C@@H]4O)C3(O)CO.O=C(O)CC(O)(CC(=O)O)C(=O)O

Names & Synonyms

  • Tetrodotoxin citrate
  • C17H25N3O15
  • MFCD00210218
  • 18660-81-6
  • (5R,6S,9S,11R,13S)-3-amino-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.17,11.01,6]tetradec-3-ene-5,9,12,13,14-pentol;citric acid