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Home >> Chemical Listing >> Page 153 >> 11-Deoxytetrodotoxin

11-Deoxytetrodotoxin
[CAS# 113564-23-1]

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CAS#: 113564-23-1
Product: 11-Deoxytetrodotoxin
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Identification
Name 11-Deoxytetrodotoxin
Synonyms Tetrodoxin, 11-Deoxy-, (4Beta)-
Molecular Structure CAS#: 113564-23-1, 11-Deoxytetrodotoxin
Molecular Formula C11H17N3O7
Molecular Weight 303.27
CAS Registry Number 113564-23-1
SMILES [C@@H]14O[C@@]2([C@H]([C@@]3([C@H]([C@H]([C@@]1(O)C)O2)[C@@H](N=C(N3)N)O)C4O)O)O
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
InChIKey XXUFXWUHBMGUMY-FDOMXQSUSA-N
Properties
Density 2.6g/cm3 (Cal.)
Boiling point 692.1°C at 760 mmHg (Cal.)
Flash point 372.3°C (Cal.)
Market Analysis Reports
List of Reports Available for 11-Deoxytetrodotoxin
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