TETRODOTOXIN
(1R,5R,6R,7R,9S,11S,12S,13S,14S)-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
Molecular Identity
TETRODOTOXIN
(1R,5R,6R,7R,9S,11S,12S,13S,14S)-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
PubChem CID: 11174599
2D Structure
Properties
C11H17N3O8
Molecular Formula
319.27
Molecular Weight
g/mol
319.1016
Exact Mass
Da
-5.9
XLogP
Drug-like (Lipinski: < 5)
190
TPSA
May have limited oral absorption
8
H-Bond Donors
9
H-Bond Acceptors
561
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
TETRODOTOXINSpheroidineTetrodotoxineTarichatoxinTetrodoxinBabylonia japonica toxin 14368-28-9MaculotoxinTectinBJT 1Pft-1 toxinTetrodontoxintetrodotoxinaFugu poison3KUM2721U9
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to TETRODOTOXIN
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