Grundinformationen
- CAS
4368-28-9- Standard-SMILES
NC1=N[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)CO- InChIKey
CFMYXEVWODSLAX-HUILCFQTSA-N- Summenformel
- C11H17N3O8
- Durchschnittliche Molmasse
- 319,27 g/mol
- Monoisotopische Masse
- 319,10156451
Überblick
(+/-)-tetrodotoxin is a quinazoline alkaloid. It is functionally related to a tetrodotoxin.
Namen und Bezeichner
- Bevorzugter Name
- (+-)-Tetrodotoxin
- IUPAC
- (1R,5R,6R,7R,9S,11S,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
- Lokaler Name
- Tetrodotoxin
- Englischer Name
- TETRODOTOXIN
- Summenformel
- C11H17N3O8
- Molmasse
- 319.27
Namen und Synonyme
(1R,5R,6R,7R,9S,11S,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(1R,5R,6R,7R,9S,11S,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(+-)-TetrodotoxinRefChem:67575(+/-)-tetrodotoxinTetrodotoxin (citrate free)SCHEMBL49601CHEBI:2092555,9:7,10a-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)-CS-3772HY-12526NS00046520
Weitere Namen anzeigen
TTXtetrodotoxinebjt-1tetrodoxinTTX citratemaculotoxinspheroidineFUGU POISONtarichatoxinTETRODOTOXIN
(4R,4aR,5R,6S,9S,10S)-2-Amino-6-(hydroxymethyl)-1,4,4a,5,6,7-hexahydro-5,9-epoxy-7,10a-methanooxocino[4,5-d]pyrimidine-4,6,9,10,11(10H)-pentol
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -5,9
- Polarare Oberfläche (TPSA)
- 190 Ų
- H-Brücken-Donoren
- 8
- H-Brücken-Akzeptoren
- 9
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 22
- Formalladung
- 0
- Komplexität
- 561
Experimentelle und physikochemische Eigenschaften
SpringerMaterials PropertiesCrystal structure
Physikochemische Eigenschaften
- Schmelzpunkt
- 280 °C · 280 °C (decomp)
- Siedepunkt
- 458.31 °C · 458.31°C (rough estimate)
- Dichte
- 1.3768 · 1.3768 (rough estimate)
- Brechungsindex
- 1.57 · 1.5700 (estimate)
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- 2 O: · H2O: stable at pH 4-5 if stored frozensoluble
- pka
- 8.76 · 8.76 (water); 9.4 (50% alc)
- Aggregatzustand
- powder
- Farbe
- white
- Merck
- 13 · 13,9318
- Stabilität
- Acid Sensitive, Hygroscopic
- CAS Datenbank
- 4368 · 4368-28-9(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
Sicherheitsdaten
- F
- 10-18
- wgk
- 3
- ridadr
- UN 3462 6.1/PG 1
- hs_code
- 30029090
- RTECS-Nr.
- IO1450000
- risk_code
- 26/27/28
- Toxizität
- LD50 i.p. in mice: 10 mg/kg (Kao, Fuhrman)
- hazard_code
- T+
- safety_code
- 22-36/37/39-45-36/37-28
- hazard_class
- 6.1(a)
- packing_group
- I
- Speicherklasse
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- Giftige Stoffe Daten
- 4368-28-9(Hazardous Substances Data)
- Hazard Classifications
- Acute Tox. 1 Oral
Chemie und Industrie
Anwendungen
BeschreibungTetrodotoxin (TTX) is a selective sodium channel blocker nonprotein heat-stable toxin. The mechanism of toxicity is through the blockage of fast voltage-gated sodium channels. The consumption of toxic amounts of TTX results primarily in neurologic and gastrointestinal signs and symptoms. TTX is widely distributed in marine taxa such as pufferfish and porcupine fish (suborders of the Tetraodontiformes order), salamanders of the family Salamandridae, Central American frogs (genus Atelopus), shellfish, starfish, crabs, and some species of ribbonworm and octopus. However, in terrestrial taxa, it is limited to a single class of vertebrates (Amphibia). TTX is now known to be produced not by puffer but by bacteria, and reaches various species of animals via food chain.
VerwendenTetrodotoxin is a highly selective, reversible sodium channel blocker.
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