TETRODOTOXIN
(11S,13S)-3-amino-5,12,13,14-tetrahydroxy-14-(hydroxymethyl)-8,10-dioxa-2-aza-4-azoniatetracyclo[7.3.1.17,11.01,6]tetradec-3-en-9-olate
Also Known As: TETRODOTOXIN|Jfsphboejcaizlginkjttssk~|(11S,13S)-3-Amino-5,12,13,14-tetrahydroxy-14-(hydroxymethyl)-8,10-dioxa-2-aza-4-azoniatetracyclo[7.3.1.17,11.01,6]tetradec-3-en-9-olate|TTX
CAS: 4368-28-9
| Molecular Formula | C11H17N3O8 |
|---|---|
| Molecular Weight | 319.10156 g/mol |
| LogP | -4.8 |
| Topological Polar Surface Area | 195.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 319.10156 |
| Monoisotopic Mass | 319.10156 |
| Heavy Atoms | 22 |
| Complexity | 561.0 |
Chemical Identifiers
| CAS Number | 4368-28-9 |
|---|---|
| SMILES | C(C1([C@@H]2C(C34[C@@H](C(O2)(OC1C3C([NH+]=C(N4)N)O)[O-])O)O)O)O |
| InChIKey | SLBCPBUVHCASIJ-UFHSVNPDSA-O |
Product Overview
TETRODOTOXIN (CAS 4368-28-9), with molecular formula C11H17N3O8 and molecular weight 319.10156 g/mol. IUPAC: (11S,13S)-3-amino-5,12,13,14-tetrahydroxy-14-(hydroxymethyl)-8,10-dioxa-2-aza-4-azoniatetracyclo[7.3.1.17,11.01,6]tetradec-3-en-9-olate.
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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