Chem
J-GLOBAL ID：200907021919084380   Nikkaji number：J466.544I

6-epi-Tetrodotoxin

6-epi-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： C11H17N3O8
Molecular formula furigana： C11-H17-N3-O8
Molecular weight： 319.270
InChI： InChI=1S/C11H17N3O8/c12-8-13-6(17)2-4-9(19,1-15)5-3(16)10(2,14-8)7(18)11(20,21-4)22-5/h2-7,15-20H,1H2,(H3,12,13,14)/t2-,3+,4-,5+,6-,7+,9-,10-,11+/m1/s1
InChI key： CFMYXEVWODSLAX-QBZRGQOOSA-N
SMILES： OC[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)：
  • (4R,4aα,11S,12R)-オクタヒドロ-12-(ヒドロキシメチル)-2-イミノ-5α,9α:7β,10aβ-ジメタノ-10aH-[1,3]ジオキソシノ[6,5-d]ピリミジン-4α,7α,10α,11,12-ペンタオール
  • (1R,5R,6R,7R,9S,11S,12R,13S,14R)-14-(ヒドロキシメチル)-3-イミノ-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,12R,13S,14R)-14-(hydroxymethyl)-3-imino-8,10-dioxa-2,4-diazatetracyclo[7.3.1.17,11.01,6]tetradecane-5,9,12,13,14-pentol
Other name (3)：
  • 6-epi-テトロドトキシン
  • 6-epi-Tetrodotoxin
  • (4R,4aα,11S,12R)-Octahydro-12-(hydroxymethyl)-2-imino-5α,9α:7β,10aβ-dimethano-10aH-[1,3]dioxocino[6,5-d]pyrimidine-4α,7α,10α,11,12-pentol
CAS registry number： 112318-40-8
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM