Saxitoxin, dihydrochloride

CAS Registry Number®

35554-08-6
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CAS Name

Saxitoxin, dihydrochloride

Molecular Formula

C10H17N7O4.2ClH

Cite this Page

Saxitoxin, dihydrochloride.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=35554-08-6 (retrieved 2024-05-18) (CAS RN: 35554-08-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C10H17N7O4.2ClH/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);2*1H/t4-,5-,10-;;/m0../s1

InChIKey

InChIKey=YHAHUGQQOBPXOZ-UIPPETONSA-N

SMILES

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

Canonical SMILES

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

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