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Substance Name: Saxitoxin ketone
RN: 76034-85-0
UNII: 6M22237W8C
InChIKey: ASAVKLGAFKQPPL-DMXGEVFUSA-N

Molecular Formula

  • C10-H15-N7-O3

Molecular Weight

  • 281.2745
 
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Names and Synonyms

Name of Substance

  • Saxitoxin ketone

Synonyms

  • 1H,10H-Pyrrolo(1,2-C)purin-10-one, 2,6-diamino-4-(((aminocarbonyl)oxy)methyl)-3a,4,8,9-tetrahydro-, (3as-(3aalpha,4alpha,10ar*))-
  • Saxitoxin anhydrous
  • Saxitoxin ketone
  • UNII-6M22237W8C

Registry Numbers

CAS Registry Number

  • 76034-85-0

FDA UNII

  • 6M22237W8C

System Generated Number

  • 0076034850

Structure Descriptors

InChI

1S/C10H15N7O3/c11-7-15-6-4(3-20-9(13)19)14-8(12)17-2-1-5(18)10(6,17)16-7/h4,6H,1-3H2,(H2,12,14)(H2,13,19)(H3,11,15,16)/t4-,6-,10+/m0/s1

InChIKey

ASAVKLGAFKQPPL-DMXGEVFUSA-N

Smiles

NC(=O)OC[C@@H]1NC(=N)N2CCC(=O)[C@@]23NC(=N)N[C@@H]13