Chem
J-GLOBAL ID：200907051922036148   Nikkaji number：J1.764.020H

5,6,11-Trideoxytetrodotoxin

5,6,11-トリ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： C11H17N3O5
Molecular formula furigana： C11-H17-N3-O5
Molecular weight： 271.273
InChI： InChI=1S/C11H17N3O5/c1-3-2-4-8(17)13-10(12)14-11(4)6(15)5(3)19-9(18)7(11)16/h3-8,15-17H,2H2,1H3,(H3,12,13,14)/t3-,4-,5-,6?,7-,8-,11-/m1/s1
InChI key： XKPWNEDMIHIMHY-RZGYWKGGSA-N
SMILES： C[C@@H]1C[C@@H]2[C@@H](O)NC(=N)N[C@]32[C@H](O)[C@@H]1OC(=O)[C@H]3O
Systematic name  (4)：
  • (4R,4aS,6R,7R,8S,8aR,9S)-4,8,9-トリヒドロキシ-2-イミノ-6-メチルデカヒドロ-7,8a-(エポキシエタノ)キナゾリン-10-オン
  • (8S)-10-オキソ-5,6,10,11-テトラキスデスヒドロキシ-10,12-セコテトロドトキシン
  • (1R,5R,6S,8R,9R,12S,13S)-5,12,13-トリヒドロキシ-3-イミノ-8-メチル-10-オキサ-2,4-ジアザトリシクロ[7.3.1.01,6]トリデカン-11-オン
  • (1R,5R,6S,8R,9R,12S,13S)-5,12,13-trihydroxy-3-imino-8-methyl-10-oxa-2,4-diazatricyclo[7.3.1.01,6]tridecan-11-one
Other name (6)：
  • (4R,4aS,6R,7R,8S,8aR,9S)-4,8,9-Trihydroxy-2-imino-6-methyldecahydro-7,8a-(epoxyethano)quinazoline-10-one
  • 5,6,11-トリデオキシテトロドトキシン
  • 5,6,11-Trideoxytetrodotoxin
  • 10-Oxo-5,6,10,11-tetrakisdeshydroxy-10,12-secotetrodotoxin
  • 10-オキソ-5,6,10,11-テトラキスデスヒドロキシ-10,12-セコテトロドトキシン
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CAS registry number： 172228-91-0
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