Saxitoxin

CAS Registry Number®

35523-89-8

CAS Name

Saxitoxin

Molecular Formula

C10H17N7O4

Molecular Mass

299.29

Cite this Page

Saxitoxin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=35523-89-8 (retrieved 2024-11-24) (CAS RN: 35523-89-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C10H17N7O4/c11-6-15-5-4(3-21-8(13)18)14-7(12)17-2-1-9(19,20)10(5,17)16-6/h4-5,19-20H,1-3H2,(H2,12,14)(H2,13,18)(H3,11,15,16)/t4-,5-,10-/m0/s1

InChIKey

InChIKey=RPQXVSUAYFXFJA-HGRQIUPRSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • 1H,10H-Pyrrolo[1,2-c]purine-10,10-diol, 2,6-diamino-4-[[(aminocarbonyl)oxy]methyl]-3a,4,8,9-tetrahydro-, (3aS,4R,10aS)-
  • Saxitoxin
  • 1H,10H-Pyrrolo[1,2-c]purine-10,10-diol, 2,6-diamino-4-[[(aminocarbonyl)oxy]methyl]-3a,4,8,9-tetrahydro-, [3aS-(3aα,4α,10aR*)]-
  • (3aS,4R,10aS)-2,6-Diamino-4-[[(aminocarbonyl)oxy]methyl]-3a,4,8,9-tetrahydro-1H,10H-pyrrolo[1,2-c]purine-10,10-diol
  • Saxitoxin hydrate

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Deleted or Replaced CAS Registry Numbers

11017-04-2, 51938-46-6, 55803-44-6

CAS INSIGHTSTM
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