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Substance Name: Tetrodotoxin, 11-deoxy-11-oxo-
RN: 73600-89-2
InChIKey: AWPSOPFZRFNJNJ-UHFFFAOYSA-N

Molecular Formula

  • C11-H15-N3-O8

Molecular Weight

  • 317.253
 
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Names and Synonyms

  • Tetrodotoxin, 11-deoxy-11-oxo-

Registry Numbers

CAS Registry Number

  • 73600-89-2

System Generated Number

  • 0073600892

Structure Descriptors

InChI

1S/C11H15N3O8/c12-8-13-6(17)2-4-9(19,1-15)5-3(16)10(2,14-8)7(18)11(20,21-4)22-5/h1-7,16-20H,(H3,12,13,14)

InChIKey

AWPSOPFZRFNJNJ-UHFFFAOYSA-N

Smiles

O[C@@H]1[C@@H]2[C@@](O)([C@@H]3[C@@H]4[C@@H](N=C(N[C@@]14[C@@H]([C@@](O3)(O)O2)O)N)O)C=O