Chem
J-GLOBAL ID：200907067238624344   Nikkaji number：J66.387E

4,9-Anhydrotetrodotoxin

4,9-アンヒドロテトロドトキシン
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： C11H15N3O7
Molecular formula furigana： C11-H15-N3-O7
Molecular weight： 301.255
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： STNXQECXKDMLJK-SJKDNDNBSA-N
SMILES： OC[C@]1(O)[C@@H]2O[C@]3(O)O[C@H]1[C@@H](O)[C@@]14NC(=N)N[C@@H](O[C@H]31)[C@@H]24
Systematic name  (3)：
  • (8S)-4,9-ジデオキシ-4β,9β-エポキシテトロドトキシン
  • (1R,2S,3S,4S,5R,9S,11S,12S,14R)-2-(ヒドロキシメチル)-7-イミノ-10,13,15-トリオキサ-6,8-ジアザペンタシクロ[7.4.1.13,12.05,11.05,14]ペンタデカン-2,4,12-トリオール
  • (1R,2S,3S,4S,5R,9S,11S,12S,14R)-2-(hydroxymethyl)-7-imino-10,13,15-trioxa-6,8-diazapentacyclo[7.4.1.13,12.05,11.05,14]pentadecane-2,4,12-triol
Other name (5)：
  • 4,9-Anhydrotetrodotoxin
  • 4,9-アンヒドロテトロドトキシン
  • 4,9-Dideoxy-4β,9β-epoxytetrodotoxin
  • 4,9-ジデオキシ-4β,9β-エポキシテトロドトキシン
  • (8S)-4,9-Dideoxy-4β,9β-epoxytetrodotoxin
CAS registry number： 13072-89-4
Regulation number (1)：
  • XF8882000
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