Gonyautoxin I
[CAS# 60748-39-2]

Identification

• Name: Gonyautoxin I
• Synonyms: 1H,10H-Pyrrolo(1,2-C)Purine-9,10,10-Triol, 2-Amino-4-(((Aminocarbonyl)Oxy)Methyl)-3A,4,5,6,8,9-Hexahydro-5-Hydroxy-6-Imino-, 9-(Hydrogen Sulfate), (3As-(3Aalpha,4Alpha,9Beta,10Ar*))-; Gtx I; Gtx1
• Molecular Formula: C₁₀H₁₇N₇O₉S
• Molecular Weight: 411.35
• CAS Registry Number: 60748-39-2
• SMILES: [C@@H]12NC(=NC13N(C(N(O)[C@H]2COC(=O)N)=N)C[C@@H](O[S](=O)(=O)O)C3(O)O)N
• InChI: 1S/C10H17N7O9S/c11-6-14-5-3(2-25-8(13)18)17(21)7(12)16-1-4(26-27(22,23)24)10(19,20)9(5,16)15-6/h3-5,12,19-21H,1-2H2,(H2,13,18)(H3,11,14,15)(H,22,23,24)/t3-,4+,5-,9?/m0/s1
• InChIKey: CETRDCWBMBILAL-ORQQJGPTSA-N