Tetrodotoxin, 4-amino-4-deoxy-, (4-alpha)-
3,5-diamino-13-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.17,11.01,6]tetradec-3-ene-9,12,13,14-tetrol
Also Known As: Tetrodaminotoxin|Tetrodotoxin, 4-amino-4-deoxy-, (4-alpha)-
CAS: 7724-38-1
| Molecular Formula | C11H18N4O7 |
|---|---|
| Molecular Weight | 318.11755 g/mol |
| LogP | -5.6 |
| Topological Polar Surface Area | 196.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 1 |
| Exact Mass | 318.11755 |
| Monoisotopic Mass | 318.11755 |
| Heavy Atoms | 22 |
| Complexity | 563.0 |
Chemical Identifiers
| CAS Number | 7724-38-1 |
|---|---|
| SMILES | C(C1(C23C(C4C(C(C2O)OC1(O4)O)O)C(N=C(N3)N)N)O)O |
| InChIKey | RZEZZMTUAUQGFF-UHFFFAOYSA-N |
Product Overview
Tetrodotoxin, 4-amino-4-deoxy-, (4-alpha)- (CAS 7724-38-1), with molecular formula C11H18N4O7 and molecular weight 318.11755 g/mol. IUPAC: 3,5-diamino-13-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.17,11.01,6]tetradec-3-ene-9,12,13,14-tetrol.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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