Tetrodotoxin

Modify Date: 2024-01-02 10:37:40

Tetrodotoxin Structure
Tetrodotoxin structure
Common Name Tetrodotoxin
CAS Number 4368-28-9 Molecular Weight 319.268
Density 2.8±0.1 g/cm3 Boiling Point 702.6±70.0 °C at 760 mmHg
Molecular Formula C11H17N3O8 Melting Point 225ºC dec
MSDS N/A Flash Point 378.7±35.7 °C

 Names

Name tetrodotoxin
Synonym More Synonyms

 Chemical & Physical Properties

Density 2.8±0.1 g/cm3
Boiling Point 702.6±70.0 °C at 760 mmHg
Melting Point 225ºC dec
Molecular Formula C11H17N3O8
Molecular Weight 319.268
Flash Point 378.7±35.7 °C
Exact Mass 319.101563
PSA 187.75000
LogP 2.16
Vapour Pressure 0.0±5.0 mmHg at 25°C
Index of Refraction 2.087
Water Solubility H2O: stable at pH 4-5 if stored frozensoluble

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
IO1450000
CAS REGISTRY NUMBER :
4368-28-9
BEILSTEIN REFERENCE NO. :
0049176
LAST UPDATED :
199710
DATA ITEMS CITED :
19
MOLECULAR FORMULA :
C11-H17-N3-O8
MOLECULAR WEIGHT :
319.31
WISWESSER LINE NOTATION :
T66 B6 D6/B-H/DM A B- C 2BD M AO B-O DX EMYMTJ CQ EQ GQ G1Q JQ LUM

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
15 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
SCIEAS Science. (American Assoc. for the Advancement of Science, 1333 H St., NW, Washington, DC 20005) V.1- 1895- Volume(issue)/page/year: 144,1100,1964
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
334 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
SKEZAP Shokuhin Eiseigaku Zasshi. Food Hygiene Journal. (Nippon Shokuhin Eisei Gakkai c/o Shokuhin Eisei Senta, 2-6-1 Jingumae, Shibuya-ku, Tokyo 150, Japan) V.1- 1960- Volume(issue)/page/year: 14,186,1973
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
8 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
SCIEAS Science. (American Assoc. for the Advancement of Science, 1333 H St., NW, Washington, DC 20005) V.1- 1895- Volume(issue)/page/year: 144,1100,1964
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
8 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CTOXAO Clinical Toxicology. (New York, NY) V.1-18, 1968-81. For publisher information, see JTCTDW. Volume(issue)/page/year: 4,331,1971
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
7300 ng/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold
REFERENCE :
SKEZAP Shokuhin Eiseigaku Zasshi. Food Hygiene Journal. (Nippon Shokuhin Eisei Gakkai c/o Shokuhin Eisei Senta, 2-6-1 Jingumae, Shibuya-ku, Tokyo 150, Japan) V.1- 1960- Volume(issue)/page/year: 14,186,1973
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intracerebral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
600 ng/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia
REFERENCE :
SKEZAP Shokuhin Eiseigaku Zasshi. Food Hygiene Journal. (Nippon Shokuhin Eisei Gakkai c/o Shokuhin Eisei Senta, 2-6-1 Jingumae, Shibuya-ku, Tokyo 150, Japan) V.1- 1960- Volume(issue)/page/year: 14,186,1973
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
8700 pg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
IGAYAY Igaku No Ayumi. Progress in Medicine. (Ishiyaku Shuppan K.K., 1-7-10, Honkomagom, Bunkyo-ku, Tokyo, Japan) V.1- 1946- Volume(issue)/page/year: 112,861,1980
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
7500 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
HXPHAU Handbuch der Experimentellen Pharmakologie. (Berlin, Ger.) New series: V.1-49, 1935-78. For publisher information, see HEPHD2. Volume(issue)/page/year: 6,63,1938
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
650 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
HXPHAU Handbuch der Experimentellen Pharmakologie. (Berlin, Ger.) New series: V.1-49, 1935-78. For publisher information, see HEPHD2. Volume(issue)/page/year: 6,63,1938
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
400 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
HXPHAU Handbuch der Experimentellen Pharmakologie. (Berlin, Ger.) New series: V.1-49, 1935-78. For publisher information, see HEPHD2. Volume(issue)/page/year: 6,63,1938
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intramuscular
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
400 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
HXPHAU Handbuch der Experimentellen Pharmakologie. (Berlin, Ger.) New series: V.1-49, 1935-78. For publisher information, see HEPHD2. Volume(issue)/page/year: 6,63,1938
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intracerebral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
25 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
HXPHAU Handbuch der Experimentellen Pharmakologie. (Berlin, Ger.) New series: V.1-49, 1935-78. For publisher information, see HEPHD2. Volume(issue)/page/year: 6,63,1938
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Parenteral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
4 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
HXPHAU Handbuch der Experimentellen Pharmakologie. (Berlin, Ger.) New series: V.1-49, 1935-78. For publisher information, see HEPHD2. Volume(issue)/page/year: 6,63,1938
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraspinal
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
80 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
HXPHAU Handbuch der Experimentellen Pharmakologie. (Berlin, Ger.) New series: V.1-49, 1935-78. For publisher information, see HEPHD2. Volume(issue)/page/year: 6,63,1938
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Amphibian - frog
DOSE/DURATION :
14 ug/kg
TOXIC EFFECTS :
Peripheral Nerve and Sensation - spastic paralysis with or without sensory change
REFERENCE :
TOXIA6 Toxicon. (Pergamon Press Ltd., Headington Hill Hall, Oxford OX3 OBW, UK) V.1- 1962- Volume(issue)/page/year: 5,25,1967
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Amphibian - frog
DOSE/DURATION :
15 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
SCIEAS Science. (American Assoc. for the Advancement of Science, 1333 H St., NW, Washington, DC 20005) V.1- 1895- Volume(issue)/page/year: 144,1100,1964 *** REVIEWS *** TOXICOLOGY REVIEW TRBMAV Texas Reports on Biology and Medicine. (Galveston, TX) V.1-41(2), 1943-81/82. Discontinued. Volume(issue)/page/year: 33,183,1975

 Safety Information

Hazard Codes T+: Very toxic;
Risk Phrases R26/27/28
Safety Phrases S22-S36/37/39-S45
RIDADR UN 3462 6.1/PG 1
WGK Germany 3
RTECS IO1450000
Packaging Group I
Hazard Class 6.1(a)

 Synthetic Route

 Synonyms

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,4aR,5R,7S,9S,10S,10aR,11S,12S)-
Tetrodotoxin
EINECS 224-458-8
Tetradotoxin
Fugu Toxin
spheroidine
(–)-Tetrodotoxin
(1R,5R,6R,7R,9S,11S,12S,13S,14S)-3-Amino-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1.0]tetradec-2-ene-5,9,12,13,14-pentol
(4R,4aR,5R,7S,9S,10S,10aR,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
maculotoxin
tarichatoxin
tetrodontoxin
tetrdotoxin
Fugu poison,Maculotoxin,TTX
MFCD00213719
fugu poison
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