CAS: 13072-89-4 - anhydrotetrodotoxin

Formula: C₁₁H₁₅N₃O₇

InChI: InChI=1S/C11H15N3O7/c12-8-13-6-2-4-9(17,1-15)5-3(16)10(2,14-8)7(19-6)11(18,20-4)21-5/h2-7,15-18H,1H2,(H3,12,13,14)/t2?,3-,4?,5+,6?,7+,9+,10-,11+/m1/s1

InChI key: InChIKey=STNXQECXKDMLJK-NLWUVLGBSA-N

SMILES: OCC1(O)C2OC3(O)OC1C4C5N=C(N)NC4(C2O)C3O5

Synonyms:

• (2S,3R,4S,5R,11S,12S)-7-amino-2-(hydroxymethyl)-10,13,15-trioxa-6,8-diazapentacyclo[7.4.1.1~3,12~.0~5,11~.0~5,14~]pentadec-7-ene-2,4,12-triol (non-preferred name)
• (4-beta,9-beta)-4,9-Dideoxy-4,9-epoxytetrodotoxin
• (4S,5aS,6S,8R,9S,10S,11S,11aR,12R)-2-Amino-1,4,5a,6,8,9,10,11-octahydro-9-(hydroxymethyl)-6,10-epoxy-4,8,11a-metheno-11aH-oxocino[4,3-f][1,3,5]oxadiazepine-6,9,11-triol
• 4,9-Anhydrotetrodotoxin
• 4-beta,9-beta-Dideoxy-4,9-epoxytetrodotoxin
• 6,10-Epoxy-4,8,11a-metheno-11aH-oxocino(4,3-f)(1,3,5)oxadiazepine-6,9,11-triol, 2-amino-1,4,5a,6,8,9,10,11-octahydro-9-(hydroxymethyl)-, (4S,5aS,6S,8R,9S,10S,11S,11aR,12R)-
• Anhydroepitetrodotoxin
• Tetrodotoxin, 4,9-anhydro-
• Tetrodotoxin, 4,9-dideoxy-4,9-epoxy-, (4-beta,9-beta)- (9CI)
• Tetrodotoxin, 4,9-dideoxy-4,9-epoxy-, (4beta,9beta)-
• Tetrodotoxin, 4,9-dideoxy-4,9-epoxy-, (4β,9β)-
• Tetrodotoxin, anhydro-

6,10-Epoxy-4,8,11a-metheno-11aH-oxocino[4,3-f][1,3,5]oxadiazepine-6,9,11-triol, 2-amino-1,4,5a,6,8,9,10,11-octahydro-9-(hydroxymethyl)-, (4S,5aS,6S,8R,9S,10S,11S,11aR,12R)-

CAS: 13072-89-4

• Formula: C₁₁H₁₅N₃O₇
• Molecular weight: 301.2527

4,9-Anhydrotetrodotoxin

CAS: 13072-89-4

4,9-Anhydrotetrodotoxin is a sodium citrate salt of 4,9-dihydro-4,9-dihydroxytetrodotoxin (anhydrotetrodotoxin). It has been shown to bind …

• Formula: C₁₁H₁₅N₃O₇
• Purity: Min. 95%
• Molecular weight: 301.25 g/mol

4,9-Anhydrotetrodotoxin

CAS: 13072-89-4

4,9-anhydro-TTX blocks Nav1.6 channels (IC50=7.8 nM); has varying IC50 for Nav1.2-Nav1.8.

• Formula: C₁₁H₁₅N₃O₇
• Color and Shape: Solid
• Molecular weight: 301.25