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Substance Name: 11-Deoxytetrodotoxin
RN: 113564-23-1
InChIKey: XXUFXWUHBMGUMY-FDOMXQSUSA-N

Note

  • Isolated from the newt Cynops ensicauda.

Molecular Formula

  • C11-H17-N3-O7

Molecular Weight

  • 303.269
 
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Names and Synonyms

Name of Substance

  • 11-Deoxytetrodotoxin

Systematic Name

  • Tetrodoxin, 11-deoxy-, (4beta)-

Registry Numbers

CAS Registry Number

  • 113564-23-1

System Generated Number

  • 0113564231

Structure Descriptors

InChI

1S/C11H17N3O7/c1-9(18)4-2-6(16)13-8(12)14-10(2)3(15)5(9)21-11(19,20-4)7(10)17/h2-7,15-19H,1H3,(H3,12,13,14)/t2-,3?,4-,5+,6+,7+,9+,10-,11+/m1/s1

InChIKey

XXUFXWUHBMGUMY-FDOMXQSUSA-N

Smiles

N=1[C@@H](O)[C@H]2[C@@H]3[C@](O)([C@H]4O[C@@]([C@H]([C@]2(NC1N)[C@@H]4O)O)(O)O3)C