Anodyne| Tetrodotoxin | |
|---|---|
 | |
| Molecular structure via molpic | |
| Conformer structure via 3Dmol.js | |
| Molecular formula | C11H17N3O8[1] |
| Molecular mass | 319.27 g/mol[1] |
| Appearance | Crystals[1] |
| Predicted LogP | -5.9[1] |
| Melting point | 225 °C[1] |
| Decomposition | When heated to decomposition it emits toxic fumes of /Nitrogen oxide/.[1] |
| Solubility | Soluble in dilute acetic acid; slightly soluble in dry alcohol, ether; practically insoluble in other organic solvents[1] |
| Chirality | absolute[2] |
| Identifiers [] | |
|---|---|
| IUPAC name | (1R,5R,6R,7R,9S,11S,12S,13S,14S)-3-amino-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.17,11.01,6]tetradec-3-ene-5,9,12,13,14-pentol[1] |
| SMILES | C([C@@]1([C@H]2[C@@H]3[C@H](N=C(N[C@@]34[C@@H]([C@@H]1O[C@]([C@H]4O)(O2)O)O)N)O)O)O[1] |
| InChI | InChI=1S/C11H17N3O8/c12-8-13-6(17)2-4-9(19,1-15)5-3(16)10(2,14-8)7(18)11(20,21-4)22-5/h2-7,15-20H,1H2,(H3,12,13,14)/t2-,3-,4-,5+,6-,7+,9+,10-,11+/m1/s1[1] |
| InChIKey | CFMYXEVWODSLAX-QOZOJKKESA-N[1] |
| Dosing |
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Tetrodotoxin
Tetrodotoxin (also known as Spheroidine, Tarichatoxin, Tetrodotoxine, Babylonia japonica toxin 1, Tetrodoxin, Tectin, BJT 1, Maculotoxin, Pft-1 toxin or tetrodotoxina) is a substance of the benzamide class.
Chemistry
Stereochemistry
Tetrodotoxin is a absolute mixture