CAS RN 4368-28-9
IUPAC Name:
(11S,13S)-3-amino-5,12,13,14-tetrahydroxy-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1⁷,¹¹.0¹,⁶]tetradec-3-en-4-ium-9-olate
Synonyms:
tetrodotoxin
Molecular Weight (g/mol):
319.27
Molecular Formula:
C11H17N3O8
InChi Key:
SLBCPBUVHCASIJ-UFHSVNPDSA-O
SMILES:
NC1=[NH+]C(O)C2C3OC4([O-])O[C@@H](C(O)C2(N1)[C@@H]4O)C3(O)CO
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Tetrodotoxin, TRC
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