Gonyautoxin 5

CAS Registry Number®

64296-25-9
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CAS Name

Gonyautoxin 5

Molecular Formula

C10H17N7O7S

Molecular Mass

379.35

Cite this Page

Gonyautoxin 5.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=64296-25-9 (retrieved 2024-09-06) (CAS RN: 64296-25-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C10H17N7O7S/c11-6-14-5-4(3-24-8(18)16-25(21,22)23)13-7(12)17-2-1-9(19,20)10(5,17)15-6/h4-5,19-20H,1-3H2,(H2,12,13)(H,16,18)(H3,11,14,15)(H,21,22,23)/t4-,5-,10-/m0/s1

InChIKey

InChIKey=JKKCSFJSULZNDN-HGRQIUPRSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Carbamic acid, N-sulfo-, [(3aS,4R,10aS)-2,6-diamino-3a,4,9,10-tetrahydro-10,10-dihydroxy-1H,8H-pyrrolo[1,2-c]purin-4-yl]methyl ester
  • Carbamic acid, sulfo-, C-[(2,6-diamino-3a,4,9,10-tetrahydro-10,10-dihydroxy-1H,8H-pyrrolo[1,2-c]purin-4-yl)methyl] ester, [3aS-(3aα,4α,10aR*)]-
  • Carbamic acid, sulfo-, C-[[(3aS,4R,10aS)-2,6-diamino-3a,4,9,10-tetrahydro-10,10-dihydroxy-1H,8H-pyrrolo[1,2-c]purin-4-yl]methyl] ester
  • 1H,8H-Pyrrolo[1,2-c]purine, carbamic acid deriv.
  • Gonyautoxin V

View All

Deleted or Replaced CAS Registry Numbers

122139-78-0, 82810-43-3