Saxitoxin, dihydrochloride
CAS Registry Number®
35554-08-6
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CAS Name
Saxitoxin, dihydrochlorideMolecular Formula
C10H17N7O4.2ClHCite 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 ) (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)-