Toxin C2
CAS Registry Number®
80226-62-6
CAS Name
Toxin C2Molecular Formula
C10H17N7O11S2Molecular Mass
475.41Cite 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 ) (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
Deleted or Replaced CAS Registry Numbers
80248-94-8