Gonyautoxin 1

CAS Registry Number®

60748-39-2

CAS Name

Gonyautoxin 1

Molecular Formula

C10H17N7O9S

Molecular Mass

411.35

Cite this Page

Gonyautoxin 1.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=60748-39-2 (retrieved 2024-11-25) (CAS RN: 60748-39-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C10H17N7O9S/c11-6-14-5-3(2-25-8(13)18)17(21)7(12)16-1-4(26-27(22,23)24)10(19,20)9(5,16)15-6/h3-5,12,19-21H,1-2H2,(H2,13,18)(H3,11,14,15)(H,22,23,24)/t3-,4+,5-,9-/m0/s1

InChIKey

InChIKey=CETRDCWBMBILAL-XXKOCQOQSA-N

SMILES

OC1(O)[C@]23[C@]([C@H](COC(N)=O)N(O)C(=N)N2C[C@H]1OS(=O)(=O)O)(N=C(N)N3)[H]

Canonical SMILES

O=C(OCC1N(O)C(=N)N2CC(OS(=O)(=O)O)C(O)(O)C32NC(=NC13)N)N

Other Names for this Substance

  • 1H,10H-Pyrrolo[1,2-c]purine-9,10,10-triol, 2-amino-4-[[(aminocarbonyl)oxy]methyl]-3a,4,5,6,8,9-hexahydro-5-hydroxy-6-imino-, 9-(hydrogen sulfate), (3aS,4R,9R,10aS)-
  • 1H,10H-Pyrrolo[1,2-c]purine-9,10,10-triol, 2-amino-4-[[(aminocarbonyl)oxy]methyl]-3a,4,5,6,8,9-hexahydro-5-hydroxy-6-imino-, 9-(hydrogen sulfate), [3aS-(3aα,4α,9β,10aR*)]-
  • GTX1
  • Gonyautoxin I
  • Toxin GTX1

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CAS INSIGHTSTM
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