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Substance Name: Tetrodotoxin, 11-deoxy-11-((2-((4-azido-2-nitrophenyl)amino)ethyl)amino)-
RN: 78995-69-4
InChIKey: SUHHSPAPPYNDTO-UHFFFAOYSA-N

Molecular Formula

  • C19-H25-N9-O9

Molecular Weight

  • 523.461
 
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Names and Synonyms

Synonym

  • ((2-Nitro-4-azidophenyl)ethylenediamine)tetrodotoxin

Systematic Name

  • Tetrodotoxin, 11-deoxy-11-((2-((4-azido-2-nitrophenyl)amino)ethyl)amino)-

Registry Numbers

CAS Registry Number

  • 78995-69-4

System Generated Number

  • 0078995694

Structure Descriptors

InChI

1S/C19H25N9O9/c20-16-24-14(30)10-12-17(32,13-11(29)18(10,25-16)15(31)19(33,36-12)37-13)6-22-3-4-23-8-2-1-7(26-27-21)5-9(8)28(34)35/h1-2,5,10-15,22-23,29-33H,3-4,6H2,(H3,20,24,25)

InChIKey

SUHHSPAPPYNDTO-UHFFFAOYSA-N

Smiles

N(c1ccc(cc1[N+](=O)[O-])N=[N+]=[N-])CCNC[C@@]1([C@@H]2[C@@H]3[C@@]4([C@@H]([C@@](O[C@@H]1[C@@H]4O)(O2)O)O)NC(=N[C@@H]3O)N)O