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Substance Name: ((2-Nitro-4-azidophenyl)lysine)tetrodotoxin
RN: 78995-68-3
InChIKey: OTITYYZOISITEI-UHFFFAOYSA-N

Molecular Formula

  • C23-H31-N9-O11

Molecular Weight

  • 609.55
 
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Names and Synonyms

Results Name

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

Synonym

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

Systematic Name

  • Tetrodotoxin, 11-((5-((4-azido-2-nitrophenyl)amino)-5-carboxypentyl)amino)-11-deoxy-, (11(S))-

Registry Numbers

CAS Registry Number

  • 78995-68-3

System Generated Number

  • 0078995683

Structure Descriptors

InChI

1S/C23H31N9O11/c24-20-28-17(34)13-15-21(38,16-14(33)22(13,29-20)19(37)23(39,42-15)43-16)8-26-6-2-1-3-11(18(35)36)27-10-5-4-9(30-31-25)7-12(10)32(40)41/h4-5,7,11,13-17,19,26-27,33-34,37-39H,1-3,6,8H2,(H,35,36)(H3,24,28,29)

InChIKey

OTITYYZOISITEI-UHFFFAOYSA-N

Smiles

N=1[C@@H](O)[C@@H]2[C@@H]3[C@@](CNCCCC[C@@H](Nc4ccc(cc4[N+]([O-])=O)N=[N+]=[N-])C(O)=O)([C@@H]4O[C@@]([C@@H]([C@@]2([C@@H]4O)NC1N)O)(O3)O)O