Tetrodotoxin, 4-deoxy-
(6R)-3-amino-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: Deoxytetrodotoxin|Desoxytetrodotoxin|Tetrodotoxin, 4-deoxy-
CAS: 7724-41-6
| Molecular Formula | C11H17N3O7 |
|---|---|
| Molecular Weight | 303.10666 g/mol |
| LogP | -4.8 |
| Topological Polar Surface Area | 170.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 303.10666 |
| Monoisotopic Mass | 303.10666 |
| Heavy Atoms | 21 |
| Complexity | 532.0 |
Chemical Identifiers
| CAS Number | 7724-41-6 |
|---|---|
| SMILES | C1[C@H]2C3C(C4C(C2(C(C(O3)(O4)O)(CO)O)NC(=N1)N)O)O |
| InChIKey | COVOMQKTVSVWBZ-CJCGOCGYSA-N |
Product Overview
Tetrodotoxin, 4-deoxy- (CAS 7724-41-6), with molecular formula C11H17N3O7 and molecular weight 303.10666 g/mol. IUPAC: (6R)-3-amino-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.
View MSDS →
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