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Tetrodotoxin
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Name

Tetrodotoxin

 EINECS 224-458-8
CAS No. 4368-28-9 Density 2.78 g/cm3
PSA 192.32000 LogP -6.03400
Solubility slightly soluble in Water Melting Point 225oC dec
Formula C11H17N3O8 Boiling Point 702.6 °C at 760 mmHg
Molecular Weight 319.271 Flash Point 378.7 °C
Transport Information UN 3462 6.1/PG 1 Appearance white powder
Safety 22-36/37/39-45 Risk Codes 26/27/28
Molecular Structure Molecular Structure of 4368-28-9 (TETRODOTOXIN) Hazard Symbols VeryT+
Synonyms

8a(1H)-Quinazolineorthoglycolicacid, octahydro-4,5,6,7,8-pentahydroxy-6-(hydroxymethyl)-2-imino-, cyclic8a,5:8a,7-ester (7CI);Tetrodotoxin (8CI);(-)-Tetrodotoxin;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-(4a,4aa,5a,7a,9a,10a,10ab,11S*,12S*)]-;Araregai toxin;BJT 1;Babyloniajaponica toxin 1;Maculotoxin;PFT-1 Toxin;Spheroidine;TTX;Tarichatoxin;Tetrodotoxine;[4R-(4a,4aa,5a,7a,9a,10a,10ab,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;

Article Data 3

Tetrodotoxin Synthetic route

C19H23N3O10

4368-28-9

tetradotoxin

Conditions
ConditionsYield
With palladium 10% on activated carbon; hydrogen In methanol at 20℃; for 3h;96.4%

4-O-methyltetrodotoxin

A

4368-28-9

tetradotoxin

B

4,9-anhydro-4-epitetrodotoxin

Conditions
ConditionsYield
In water-d2; trifluoroacetic acid for 96h;A 66%
B 15%

4,9-anhydro-4-epitetrodotoxin

4368-28-9

tetradotoxin

Conditions
ConditionsYield
In water-d2; trifluoroacetic acid for 96h;63%

C28H49N3O12Si

A

4,9-anhydrotetrodotoxin

B

4368-28-9

tetradotoxin

Conditions
ConditionsYield
With trifluoroacetic acid In water at 20℃;A 58%
B 36%

C17H31NO8Si

4368-28-9

tetradotoxin

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: HgCl2; Et3N / dimethylformamide / 20 °C
2: 36 percent / trifluoroacetic acid / H2O / 20 °C
View Scheme
794568-31-3

Acetic acid (1R,3S,5S,6S,7S,8R,9S,10S)-9-acetoxy-9-acetoxymethyl-8-dimethoxymethyl-3,10-dihydroxy-7-(2,2,2-trichloro-acetylamino)-2,4-dioxa-tricyclo[3.3.1.13,7]dec-6-yl ester

4368-28-9

tetradotoxin

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: 2,6-lutidine / CH2Cl2 / 0 °C
2: diisobutylaluminum hydride / CH2Cl2 / -40 °C
3: HgCl2; Et3N / dimethylformamide / 20 °C
4: 36 percent / trifluoroacetic acid / H2O / 20 °C
View Scheme
794568-18-6

2,2,2-Trichloro-N-[(1R,2S,5R,6S)-2-((S)-2,2-dimethyl-[1,3]dioxolan-4-yl)-4-methyl-5,6-bis-triethylsilanyloxy-1-vinyl-cyclohex-3-enyl]-acetamide

4368-28-9

tetradotoxin

Conditions
ConditionsYield
Multi-step reaction with 16 steps
1.1: selenium dioxide; pyridine N-oxide / dioxane / Heating
1.2: 48 percent / NaBH4; CeCl3*7H2O / methanol / 0 °C
2.1: 2,6-lutidine / CH2Cl2 / 0 °C
2.2: 83 percent / m-chloroperbenzoic acid; Na2HPO4 / CH2Cl2 / 20 °C
3.1: 90 percent / O3; Et3N / CH2Cl2 / -78 °C
4.1: 70 percent / EtMgBr / tetrahydrofuran / 0 °C
5.1: 4-dimethylaminopyridine / pyridine / 20 °C
5.2: 91 percent / tetrabutylammonium fluoride / tetrahydrofuran / -10 °C
6.1: KMnO4; NaIO4; NaHCO3 / 2-methyl-propan-2-ol; H2O / 50 °C
7.1: H2O2; NaHCO3 / methanol / 20 °C
8.1: 2,6-lutidine / CH2Cl2 / -40 °C
9.1: pyridine / 20 °C
10.1: tetrabutylammonium fluoride / acetonitrile / 0 °C
10.2: 71 percent / pyridine / 20 °C
11.1: periodic acid / methyl acetate / 20 °C
11.2: camphor sulfonic acid / methanol / 20 °C
12.1: aq. NH3 / methanol / 0 °C
13.1: 2,6-lutidine / CH2Cl2 / 0 °C
14.1: diisobutylaluminum hydride / CH2Cl2 / -40 °C
15.1: HgCl2; Et3N / dimethylformamide / 20 °C
16.1: 36 percent / trifluoroacetic acid / H2O / 20 °C
View Scheme
794568-32-4

C25H36Cl3NO12Si

4368-28-9

tetradotoxin

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: diisobutylaluminum hydride / CH2Cl2 / -40 °C
2: HgCl2; Et3N / dimethylformamide / 20 °C
3: 36 percent / trifluoroacetic acid / H2O / 20 °C
View Scheme
794568-30-2

Acetic acid (1R,3S,5S,6S,7R,8R,9S,10S)-3,6,9-triacetoxy-9-acetoxymethyl-8-dimethoxymethyl-7-(2,2,2-trichloro-acetylamino)-2,4-dioxa-tricyclo[3.3.1.13,7]dec-10-yl ester

4368-28-9

tetradotoxin

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1: aq. NH3 / methanol / 0 °C
2: 2,6-lutidine / CH2Cl2 / 0 °C
3: diisobutylaluminum hydride / CH2Cl2 / -40 °C
4: HgCl2; Et3N / dimethylformamide / 20 °C
5: 36 percent / trifluoroacetic acid / H2O / 20 °C
View Scheme
794568-19-7

2,2,2-Trichloro-N-[(1R,2S,5R,6S)-2-((S)-2,2-dimethyl-[1,3]dioxolan-4-yl)-4-hydroxymethyl-5,6-bis-triethylsilanyloxy-1-vinyl-cyclohex-3-enyl]-acetamide

4368-28-9

tetradotoxin

Conditions
ConditionsYield
Multi-step reaction with 15 steps
1.1: 2,6-lutidine / CH2Cl2 / 0 °C
1.2: 83 percent / m-chloroperbenzoic acid; Na2HPO4 / CH2Cl2 / 20 °C
2.1: 90 percent / O3; Et3N / CH2Cl2 / -78 °C
3.1: 70 percent / EtMgBr / tetrahydrofuran / 0 °C
4.1: 4-dimethylaminopyridine / pyridine / 20 °C
4.2: 91 percent / tetrabutylammonium fluoride / tetrahydrofuran / -10 °C
5.1: KMnO4; NaIO4; NaHCO3 / 2-methyl-propan-2-ol; H2O / 50 °C
6.1: H2O2; NaHCO3 / methanol / 20 °C
7.1: 2,6-lutidine / CH2Cl2 / -40 °C
8.1: pyridine / 20 °C
9.1: tetrabutylammonium fluoride / acetonitrile / 0 °C
9.2: 71 percent / pyridine / 20 °C
10.1: periodic acid / methyl acetate / 20 °C
10.2: camphor sulfonic acid / methanol / 20 °C
11.1: aq. NH3 / methanol / 0 °C
12.1: 2,6-lutidine / CH2Cl2 / 0 °C
13.1: diisobutylaluminum hydride / CH2Cl2 / -40 °C
14.1: HgCl2; Et3N / dimethylformamide / 20 °C
15.1: 36 percent / trifluoroacetic acid / H2O / 20 °C
View Scheme

Tetrodotoxin Chemical Properties

MF: C11H17N3O8
MW: 319.27
EINECS: 224-458-8
Product Categories: Living creature toxin;Sodium channel
Mol File: 4368-28-9.mol
storage temp：  2-8°C
solubility：  H2O: stable at pH 4-5 if stored frozensoluble
form：  powder
color：  white
Merck：  13,9318
Synonyms:FUGU POISON;TTX;TETRODOTOXIN;TETRODOTOXIN, FUGU SPECIES;OCTAHYDRO-12-(HYDROXYMETHYL)-2-IMINO-5,9:7,10A-DIMETHANO-10AH-[1,3]DIOXOCINO[6,5-D]PYRIMIDINE-4,7,10,11,12-PENTOL;10abeta,11s*,12s*))-10alph;12-(hydroxymethyl)-2-imino-5,9:7,10a-dimethano-10ah-(1,3)dioxocino(6,5-d)pyri;4aalpha,5alpha,7alpha,9alpha,10alpha,10abeta,11s*,12s*))-octahydro-(4r-(4alph
The structure of  FUGU POISON is: 

          

Tetrodotoxin Toxicity Data With Reference

1.   

orl-mus LD50:435 µg/kg

   JJPAAZ    Japanese Journal of Pharmacology. 17 (1967),267.
2.   

ipr-mus LD50:8 µg/kg

   SCIEAS    Science. 144 (1964),1100.
3.   

scu-mus LD50:8 µg/kg

   CTOXAO    Clinical Toxicology. 4 (1971),331.
4.   

ivn-mus LD50:9 µg/kg

   JJPAAZ    Japanese Journal of Pharmacology. 17 (1967),267.

Tetrodotoxin Consensus Reports

FUGU POISON(4368-28-9) is reported in EPA TSCA Inventory.

Tetrodotoxin Safety Profile

Hazard Codes：  T+
Risk Statements：  26/27/28
Safety Statements：  22-36/37/39-45
RIDADR：  UN 3462 6.1/PG 1
WGK Germany：  3
RTECS：  IO1450000
F：  10-18
HazardClass：  6.1(a)
PackingGroup：  I
Poison by ingestion, intraperitoneal, subcutaneous, and intravenous routes. When heated to decomposition it emits toxic fumes of NOx.

Tetrodotoxin Specification

1、Fire Fighting Measures of  FUGU POISON(4368-28-9)
General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.  Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam. 
2、Handling and Storage of  FUGU POISON(4368-28-9)
Handling: Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood. 
Storage: Store in a tightly closed container. Store in a dry area. Poison room locked/refrigerator. 
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