Products 18660-81-6

CAS 18660-81-6 is the registry number for Tetrodotoxin citrate. Offered by: Biosynth. Available pack sizes: 5mg, 1mg, 10mg.

Tetrodotoxin citrate
Biosynth
  • size: 5mg, 1mg, 10mg
  • Variants: 3
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Structural formula: {0} (CAS {1})

(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;2-hydroxypropane-1,2,3-tricarboxylic acid (CAS 18660-81-6) is a chemical compound with the molecular formula C17H25N3O15 and a molecular weight of 511.4 g/mol. IUPAC name: (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;2-hydroxypropane-1,2,3-tricarboxylic acid. InChIKey: YUJWMDOXROTQCW-CREXYEDTSA-N.

Identity
Molecular formulaC17H25N3O15
Molecular weight511.4 g/mol
IUPAC name(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;2-hydroxypropane-1,2,3-tricarboxylic acid
InChIKeyYUJWMDOXROTQCW-CREXYEDTSA-N
SMILESC(C(=O)O)C(CC(=O)O)(C(=O)O)O.C([C@@]1([C@H]2[C@@H]3[C@H](N=C(N[C@]34[C@@H]([C@](O2)(O[C@H]1C4O)O)O)N)O)O)O

Computed by PubChem (NCBI)

Synonyms: Tetrodotoxin citrate, Tetrodotoxin (citrate)