Tetrodotoxin
Properties
- Molecular formula
- C11H17N3O8
- Molar mass
- 319.27 g/mol
- Exact mass
- 319.1016 Da
- Melting point
- 280 °C (decomposes)
- logP
- -5.31Crippen estimate
- Polar surface area
- 187.8 Ų
- H-bond donors / acceptors
- 9 / 9
- Rotatable bonds
- 1
- Stereocentres
- R, R, R, S, S, R, S, Sin SMILES atom order
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library
Identifiers
CAS number
4368-28-9SMILES
N=C1N[C@H](O)[C@H]2[C@H]3O[C@]4(O)O[C@@H](C(O)[C@@]2(N1)[C@@H]4O)[C@]3(O)COInChIKey
CFMYXEVWODSLAX-HUILCFQTSA-NInChI
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/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
16 names · show all
- 5,9:7,10a-Dimethano-10aH-[1,3]dioxocino[6,5-d]pyrimidine-4,7,10,11,12-pentol, 2-amino-1,4,4a,5,9,10-hexahydro-12-(hydroxymethyl)-, (4R,4aR,5R,7S,9S,10S,10aR,11S,12S)-
- 8a(1H)-Quinazolineorthoglycolic acid, octahydro-4,5,6,7,8-pentahydroxy-6-(hydroxymethyl)-2-imino-, cyclic 8a,5:8a,7-ester
- (4R,4aR,5R,7S,9S,10S,10aR,11S,12S)-2-Amino-1,4,4a,5,9,10-hexahydro-12-(hydroxymethyl)-5,9:7,10a-dimethano-10aH-[1,3]dioxocino[6,5-d]pyrimidine-4,7,10,11,12-pentol
- Tarichatoxin
- Spheroidine
- 5,9:7,10a-Dimethano-10aH-[1,3]dioxocino[6,5-d]pyrimidine-4,7,10,11,12-pentol, octahydro-12-(hydroxymethyl)-2-imino-, [4R-(4α,4aα,5α,7α,9α,10α,10aβ,11S*,12S*)]-
- Maculotoxin
- Tetrodotoxine
- [4R-(4α,4Aα,5α,7α,9α,10α,10aβ,11S*,12S*)]-Octahydro-12-(hydroxymethyl)-2-imino-5,9:7,10a-dimethano-10aH-[1,3]dioxocino[6,5-d]pyrimidine-4,7,10,11,12-pentol
- BJT 1
- Babyloniajaponica toxin 1
- Araregai toxin
- TTX
- (-)-Tetrodotoxin
- PFT-1 Toxin
- Tectin