Chem
J-GLOBAL ID：200907026387765351   Nikkaji number：J466.545G

11-Deoxytetrodotoxin

11-デオキシテトロドトキシン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C11H17N3O7
Molecular formula furigana： C11-H17-N3-O7
Molecular weight： 303.271
InChI： 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
InChI key： XXUFXWUHBMGUMY-QOZOJKKESA-N
SMILES： C[C@@]1(O)[C@H]2O[C@@]3(O)O[C@@H]1[C@@H]1[C@@H](O)NC(=N)N[C@]1([C@@H]2O)[C@@H]3O
Systematic name  (3)：
  • (8S)-11-デオキシテトロドトキシン
  • (1R,5R,6R,7R,9S,11S,12S,13S,14S)-3-イミノ-14-メチル-8,10-ジオキサ-2,4-ジアザテトラシクロ[7.3.1.17,11.01,6]テトラデカン-5,9,12,13,14-ペンタオール
  • (1R,5R,6R,7R,9S,11S,12S,13S,14S)-3-imino-14-methyl-8,10-dioxa-2,4-diazatetracyclo[7.3.1.17,11.01,6]tetradecane-5,9,12,13,14-pentol
Other name (3)：
  • 11-Deoxytetrodotoxin
  • 11-デオキシテトロドトキシン
  • (8S)-11-Deoxytetrodotoxin
CAS registry number： 113564-23-1
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