Toxin C2

CAS Registry Number®

80226-62-6

CAS Name

Toxin C2

Molecular Formula

C10H17N7O11S2

Molecular Mass

475.41

Cite this Page

Toxin C2.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=80226-62-6 (retrieved 2024-11-22) (CAS RN: 80226-62-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C10H17N7O11S2/c11-6-14-5-3(2-27-8(18)16-29(21,22)23)13-7(12)17-1-4(28-30(24,25)26)10(19,20)9(5,17)15-6/h3-5,19-20H,1-2H2,(H2,12,13)(H,16,18)(H3,11,14,15)(H,21,22,23)(H,24,25,26)/t3-,4-,5-,9-/m0/s1

InChIKey

InChIKey=OKSSKVHGKYJNLL-LJRZAWCWSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Carbamic acid, N-sulfo-, C-[[(3aS,4R,9S,10aS)-2,6-diamino-3a,4,9,10-tetrahydro-10,10-dihydroxy-9-(sulfooxy)-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-9-(sulfooxy)-1H,8H-pyrrolo[1,2-c]purin-4-yl]methyl] ester, [3aS-(3aα,4α,9α,10aR*)]-
  • Carbamic acid, sulfo-, C-[[(3aS,4R,9S,10aS)-2,6-diamino-3a,4,9,10-tetrahydro-10,10-dihydroxy-9-(sulfooxy)-1H,8H-pyrrolo[1,2-c]purin-4-yl]methyl] ester
  • 1H,8H-Pyrrolo[1,2-c]purine, carbamic acid deriv.
  • Carbamoyl-N-sulfo-11β-hydroxysaxitoxin sulfate

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Deleted or Replaced CAS Registry Numbers

80248-94-8

CAS INSIGHTSTM
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