Neosaxitoxin

CAS Registry Number®

64296-20-4
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CAS Name

Neosaxitoxin

Molecular Formula

C10H17N7O5

Molecular Mass

315.29

Cite this Page

Neosaxitoxin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=64296-20-4 (retrieved 2024-03-29) (CAS RN: 64296-20-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey=PPEKGEBBBBNZKS-HGRQIUPRSA-N

SMILES

O[C@]1(O)[C@]23[C@]([C@H](COC(N)=O)N(O)C(=N)N2CC1)(N=C(N)N3)[H]

Canonical SMILES

O=C(OCC1N(O)C(=N)N2CCC(O)(O)C32NC(=NC13)N)N

Other Names for this Substance

  • 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-(3aα,4α,10aR*)]-
  • (3aS,4R,10aS)-2-Amino-4-[[(aminocarbonyl)oxy]methyl]-3a,4,5,6,8,9-hexahydro-5-hydroxy-6-imino-1H,10H-pyrrolo[1,2-c]purine-10,10-diol
  • Neosaxitoxin
  • NeoSTX

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