Gonyautoxin 3

• CAT Number: R051432
• CAS Number: 60537-65-7
• Molecular Formula: C10H17N7O8S
• Molecular Weight: 395.347
• Purity: ≥95%
• Storage: -20°C
• IUPAC Name: [(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-9-sulfooxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate
• InChI: InChI=1S/C10H17N7O8S/c11-6-15-5-3(2-24-8(13)18)14-7(12)17-1-4(25-26(21,22)23)10(19,20)9(5,17)16-6/h3-5,19-20H,1-2H2,(H2,12,14)(H2,13,18)(H3,11,15,16)(H,21,22,23)/t3-,4-,5-,9-/m0/s1
• InChIKey: ARSXTTJGWGCRRR-LJRZAWCWSA-N
• SMILES: C1C(C(C23N1C(=NC(C2N=C(N3)N)COC(=O)N)N)(O)O)OS(=O)(=O)O

GTX2 and GTX3 are spatial isomers with relatively low molecular weight (396.36 Da) and often concur as
GTX2, 3.  GTX2,3 is highly toxic and has complex molecular structure and many functional groups.

Reference

1: Mulcahy JV, Walker JR, Merit JE, Whitehead A, Du Bois J. Synthesis of the
Paralytic Shellfish Poisons (+)-Gonyautoxin 2, (+)-Gonyautoxin 3, and
(+)-11,11-Dihydroxysaxitoxin. J Am Chem Soc. 2016 May 11;138(18):5994-6001. doi:
10.1021/jacs.6b02343. Epub 2016 May 3. PubMed PMID: 27138488.

2: Hwang DF, Cheng CA, Jeng SS. Gonyautoxin-3 as a minor toxin in the gastropod
Niotha clathrata in Taiwan. Toxicon. 1994 Dec;32(12):1573-9. PubMed PMID:
7725326.