- Recommended name
- 11-Deoxytetrodotoxin
- Synonyms
- (1R,5S,6R,7R,9S,11S,13S,14S)-3-amino-14-methyl-8,10-dioxa-2,4-diazatetracyclo[7.3.1.17,11.01,6]tetradec-3-ene-5,9,12,13,14-pentol, Tetrodoxin, 11-deoxy-, (4beta)-
- Recommended acronym
- 11-deoxyTTX
- Abbreviation
Progenitors
No progenitors registered
Vector Species
No vector species registered
- Structure
- Formula
- C11H17N3O7
- Exact mono-isotopic mass
- 303.10664989
- Molfile
- n/a
- Alternative molfiles
- n/a
- SMILES
- 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
- Alternative SMILES
- n/a
- InChi key
- XXUFXWUHBMGUMY-FDOMXQSUSA-N
- Alternative InChi keys
- n/a
- InChi
- 1S/C11H17N3O7/c1-9(18)4-2-6(16)13-8(12)14-10(2)3(15)5(9)21-11(19,20-4)7(10)17/h2-7,15-19H,1H3,(H3,12,13,14)/t2-,3?,4-,5+,6+,7+,9+,10-,11+/m1/s1
- Alternative InChis
- Spectra available
- Unknown
- Chem files
References
- Nishikawa et al, 2002
- Asymmetric Total Synthesis of 11-Deoxytetrodotoxin, a Naturally Occurring Congener Publication Name: Journal of the American Chemical Society Publication Date: 2002-06-07 Toshio Nishikawa, Masanori Asai, and Minoru Isobe
- Certified
- False
- Certified links
-
-
n/a
- Non certified reference material
- False
Chemical analysis
- Research
- True
- Standardized
- False
- Validated
- False
- Official
- n/a
Structure recognition assays
- Research
- Unknown
- Standardized
- Unknown
- Validated
- Unknown
- Official
- n/a
Functional assays
- Research
- Unknown
- Standardized
- Unknown
- Validated
- Unknown
- Official
- n/a
Animal assays
- Research
- Unknown
- Standardized
- Unknown
- Validated
- Unknown
- Official
- n/a
References
- Bane et al, 2016
- LC-MS/MS
- Regulatory status
- False
- Human toxic syndrome(s)
- Paralytical Shellfish Poisoning
- Organ system toxicity
- Neurotoxicity
- Risk assessment
- True
- Molecular targets known
- True
- Molecular targets
- Voltage dependent sodium channel (site 1)
- Toxic to aquatic animals
- Unknown
- TEF available
- False
TEF References
- Bane et al, 2014
- 70 μg/kg b.w. for 11-deoxy-TTX (Bane et al., 2014) compared to 10 μg/kg b.w. for TTX (Noguchi, Onuki and Arakawa, 2011), WHO working group recommends more work needed to define TEFs for all TTX analogues including oral toxicity studies
- Notes
- Relative toxicity in mice described experimentally but TEF not defined