Decarbamoylsaxitoxin

CAS Registry Number®

58911-04-9
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CAS Name

Decarbamoylsaxitoxin

Molecular Formula

C9H16N6O3

Molecular Mass

256.26

Cite this Page

Decarbamoylsaxitoxin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=58911-04-9 (retrieved 2024-05-12) (CAS RN: 58911-04-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C9H16N6O3/c10-6-13-5-4(3-16)12-7(11)15-2-1-8(17,18)9(5,15)14-6/h4-5,16-18H,1-3H2,(H2,11,12)(H3,10,13,14)/t4-,5-,9-/m0/s1

InChIKey

InChIKey=VRRIYZJUSNMZMP-PJPYAQQDSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • 1H,10H-Pyrrolo[1,2-c]purine-10,10-diol, 2,6-diamino-3a,4,8,9-tetrahydro-4-(hydroxymethyl)-, (3aS,4R,10aS)-
  • 1H,10H-Pyrrolo[1,2-c]purine-10,10-diol, 2,6-diamino-3a,4,8,9-tetrahydro-4-(hydroxymethyl)-, [3aS-(3aα,4α,10aR*)]-
  • (3aS,4R,10aS)-2,6-Diamino-3a,4,8,9-tetrahydro-4-(hydroxymethyl)-1H,10H-pyrrolo[1,2-c]purine-10,10-diol
  • Decarbamylsaxitoxin
  • Decarbamoylsaxitoxin

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