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Substance Name: Neosaxitoxin
RN: 64296-20-4
UNII: 6YRL8BWD9H
InChIKey: PPEKGEBBBBNZKS-HGRQIUPRSA-N

Classification Codes

  • Insecticides
  • Neuromuscular Agents
  • Neuromuscular Blocking Agents
  • Peripheral Nervous System Agents
  • Pesticides

Molecular Formula

  • C10-H17-N7-O5

Molecular Weight

  • 315.2883
 
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Names and Synonyms

Name of Substance

  • Neosaxitoxin

Synonyms

  • Neosaxitoxin
  • UNII-6YRL8BWD9H

Systematic Names

  • 1H,10H-Pyrrolo(1,2-c)purine-10,10-diol, 2-amino-4-(((aminocarbonyl)oxy)methyl)-3a,4,5,6,8,9-hexahydro-5-hydroxy-6-imino-, (3aS,4R,10aS)-
  • 1H,10H-Pyrrolo(1,2-c)purine-10,10-diol, 2-amino-4-((aminocarbonyl)oxy)methyl-3a,4,5,6,8,9-hexahydro-5-hydroxy-6-imino-, (3aS,4R,10aS)-
  • 1H,10H-Pyrrolo(1,2-c)purine-10,10-diol, 2-amino-4-((aminocarbonyl)oxy)methyl-3a,4,5,6,8,9-hexahydro-5-hydroxy-6-imino-, (3aS-(3aalpha,4alpha,10aR*))-
  • NeoSTX

Registry Numbers

CAS Registry Number

  • 64296-20-4

FDA UNII

  • 6YRL8BWD9H

System Generated Number

  • 0064296204

Structure Descriptors

InChI

1S/C10H17N7O5/c11-6-14-5-4(3-22-8(13)18)17(21)7(12)16-2-1-9(19,20)10(5,16)15-6/h4-5,12,19-21H,1-3H2,(H2,13,18)(H3,11,14,15)/t4-,5-,10-/m0/s1

InChIKey

PPEKGEBBBBNZKS-HGRQIUPRSA-N

Smiles

NC(=O)OC[C@H]1[C@@H]2N=C(N)N[C@]23N(CCC3(O)O)C(=N)N1O