Toxin C3

CAS Registry Number®

89614-45-9

CAS Name

Toxin C3

Molecular Formula

C10H17N7O12S2

Molecular Mass

491.41

Cite this Page

Toxin C3.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=89614-45-9 (retrieved 2024-11-05) (CAS RN: 89614-45-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C10H17N7O12S2/c11-6-13-5-3(2-28-8(18)15-30(22,23)24)17(21)7(12)16-1-4(29-31(25,26)27)10(19,20)9(5,16)14-6/h3-5,12,19-21H,1-2H2,(H,15,18)(H3,11,13,14)(H,22,23,24)(H,25,26,27)/t3-,4+,5-,9-/m0/s1

InChIKey

InChIKey=HUDHMIUZDXZZRC-XXKOCQOQSA-N

SMILES

OC1(O)[C@]23[C@]([C@H](COC(NS(=O)(=O)O)=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)NS(=O)(=O)O

Other Names for this Substance

  • Carbamic acid, N-sulfo-, C-[[(3aS,4R,9R,10aS)-2-amino-3a,4,5,6,9,10-hexahydro-5,10,10-trihydroxy-6-imino-9-(sulfooxy)-1H,8H-pyrrolo[1,2-c]purin-4-yl]methyl] ester
  • Carbamic acid, sulfo-, C-[[2-amino-3a,4,5,6,9,10-hexahydro-5,10,10-trihydroxy-6-imino-9-(sulfooxy)-1H,8H-pyrrolo[1,2-c]purin-4-yl]methyl] ester, [3aS-(3aα,4α,9β,10aR*)]-
  • Carbamic acid, sulfo-, C-[[(3aS,4R,9R,10aS)-2-amino-3a,4,5,6,9,10-hexahydro-5,10,10-trihydroxy-6-imino-9-(sulfooxy)-1H,8H-pyrrolo[1,2-c]purin-4-yl]methyl] ester
  • 1H,8H-Pyrrolo[1,2-c]purine, carbamic acid deriv.
  • Toxin C3 from Protogonyaulax

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CAS INSIGHTSTM
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