Tetrodotoxin
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Product Description
Product
Tetrodotoxin
CAS
4368-28-9
Formula
C11H17N3O8
Synonym
Tetrodotoxin; Tetrodotoxine; Tetrodoxin; TTX; UNII-3KUM2721U9; (4R-(4alpha,4aalpha,5alpha,7alpha,9alpha,10alpha,10abeta,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; 4-27-00-08206 (Beilstein Handbook Reference); 5,9:7,10a-dimethano-10ah-(1,3)dioxocino(6,5-d)pyrimidine-4,7,10,11,12-pentol,; 5,9:7,10a-Dimethano-10aH-(1,3)dioxocino(6,5-d)pyrimidine-4,7,10,11,12-pentol, octahydro-12-(hydroxymethyl)-2-imino-; 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-(4alpha,4aalpha,5alpha,7alpha,9alpha,10alpha,10abeta,11S*,12S*))-; 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)-; 5,9:7,10a-dimethano-10ah-(1,3)dioxocino(6,5-d)pyrimidine-4,7,10,11,12-pentol,o; 5-d)pyrimidine-4,7,10,11,12-pentol; Babylonia japonica toxin 1; babyloniajaponicatoxin1; BJT 1; bjt-1; BRN 0049176; CCRIS 9328; ctahydro-12-(hydroxymethyl)-2-imino-,(4r-(4alpha,4aalpha,5alpha,7alpha,9alpha,; EINECS 224-458-8; Fugu poison; HSDB 3543; Maculotoxin; midine-4,7,10,11,12-pentol; Octahydro-12-(hydroxymethyl)-2-imino-5,9:7,10a-dimethano-10aH-(1,3)dioxocino(6,5-d)pyrimidine-4,7,10,11,12-pentol; Spheroidine; Tarichatoxin; Tetrodontoxin
Typical Product Specifications
Molecular weight
319.27
EINECS
224-458-8
SMILES
NC1=N[C@H](O)[C@H]2[C@H]3O[C@]4(O)O[C@@H]([C@H](O)[C@@]2(N1)[C@@H]4O)[C@]3(O)CO
InChI
CFMYXEVWODSLAX-QYIGHCJRSA-N
InChIKey
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/s1
log P (octanol-water)
-6.210
Atmospheric OH Rate Constant
3.71E-10 cm3/molecule-sec
pKa Dissociation Constant
8.76
Storage Temperature
2-8°C
Form
powder
Merck
13,9318
Solubility
H2O: stable at pH 4-5 if stored frozensoluble
Color
white
Class
Industry
Tetrodotoxin
Product Description
Product
Tetrodotoxin
CAS
4368-28-9
Formula
C11H17N3O8
Synonym
Tetrodotoxin; Tetrodotoxine; Tetrodoxin; TTX; UNII-3KUM2721U9; (4R-(4alpha,4aalpha,5alpha,7alpha,9alpha,10alpha,10abeta,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; 4-27-00-08206 (Beilstein Handbook Reference); 5,9:7,10a-dimethano-10ah-(1,3)dioxocino(6,5-d)pyrimidine-4,7,10,11,12-pentol,; 5,9:7,10a-Dimethano-10aH-(1,3)dioxocino(6,5-d)pyrimidine-4,7,10,11,12-pentol, octahydro-12-(hydroxymethyl)-2-imino-; 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-(4alpha,4aalpha,5alpha,7alpha,9alpha,10alpha,10abeta,11S*,12S*))-; 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)-; 5,9:7,10a-dimethano-10ah-(1,3)dioxocino(6,5-d)pyrimidine-4,7,10,11,12-pentol,o; 5-d)pyrimidine-4,7,10,11,12-pentol; Babylonia japonica toxin 1; babyloniajaponicatoxin1; BJT 1; bjt-1; BRN 0049176; CCRIS 9328; ctahydro-12-(hydroxymethyl)-2-imino-,(4r-(4alpha,4aalpha,5alpha,7alpha,9alpha,; EINECS 224-458-8; Fugu poison; HSDB 3543; Maculotoxin; midine-4,7,10,11,12-pentol; Octahydro-12-(hydroxymethyl)-2-imino-5,9:7,10a-dimethano-10aH-(1,3)dioxocino(6,5-d)pyrimidine-4,7,10,11,12-pentol; Spheroidine; Tarichatoxin; Tetrodontoxin
Typical Product Specifications
Molecular weight
319.27
EINECS
224-458-8
SMILES
NC1=N[C@H](O)[C@H]2[C@H]3O[C@]4(O)O[C@@H]([C@H](O)[C@@]2(N1)[C@@H]4O)[C@]3(O)CO
InChI
CFMYXEVWODSLAX-QYIGHCJRSA-N
InChIKey
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/s1
log P (octanol-water)
-6.210
Atmospheric OH Rate Constant
3.71E-10 cm3/molecule-sec
pKa Dissociation Constant
8.76
Storage Temperature
2-8°C
Form
powder
Merck
13,9318
Solubility
H2O: stable at pH 4-5 if stored frozensoluble
Color
white
Class
Industry
