Chem
J-GLOBAL ID：200907037178541855   Nikkaji number：J533.480B

Brugin

ブルギン
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： C12H19NO2S2
Molecular formula furigana： C12-H19-N-O2-S2
Molecular weight： 273.410
InChI： InChI=1S/C12H19NO2S2/c1-13-8-2-3-9(13)7-10(6-8)15-12(14)11-4-5-16-17-11/h8-11H,2-7H2,1H3/t8-,9+,10?,11-/m0/s1
InChI key： BOJOZZSCQUTEBY-IXMYILBSSA-N
SMILES： CN1[C@H]2CC[C@@H]1CC(C2)OC(=O)[C@@H]1CCSS1
Systematic name  (4)：
  • (S)-1,2-ジチオラン-3-カルボン酸(1S,5R)-8-メチル-8-アザビシクロ[3.2.1]オクタン-3β-イル
  • (S)-3-[[(1S,5R)-8-メチル-8-アザビシクロ[3.2.1]オクタン-3β-イル]オキシカルボニル]-1,2-ジチオラン
  • (1R,5S)-8-メチル-8-アザビシクロ[3.2.1]オクタン-3-イル (3S)-1,2-ジチオラン-3-カルボキシラート
  • (1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl (3S)-1,2-dithiolane-3-carboxylate
Other name (5)：
  • ブルギン
  • (S)-3-[[(1S,5R)-8-Methyl-8-azabicyclo[3.2.1]octane-3β-yl]oxycarbonyl]-1,2-dithiolane
  • Brugin
  • Brugine
  • (S)-1,2-Dithiolane-3-carboxylic acid (1S,5R)-8-methyl-8-azabicyclo[3.2.1]octane-3β-yl ester
CAS registry number： 14912-30-2
KEGG COMPOUND： C10849
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