Chem
J-GLOBAL ID：200907019641281851   Nikkaji number：J369.714B

(+)-Bremazocine

(+)-ブレマゾシン
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： C20H29NO2
Molecular formula furigana： C20-H29-N-O2
Molecular weight： 315.457
InChI： InChI=1S/C20H29NO2/c1-4-20-9-10-21(13-19(23)7-8-19)17(18(20,2)3)11-14-5-6-15(22)12-16(14)20/h5-6,12,17,22-23H,4,7-11,13H2,1-3H3/t17-,20?/m0/s1
InChI key： ZDXGFIXMPOUDFF-DIMJTDRSSA-N
SMILES： CCC12CCN(CC3(O)CC3)[C@@H](Cc3ccc(O)cc13)C2(C)C
Systematic name  (3)：
  • (2S)-6-エチル-1,2,3,4,5,6-ヘキサヒドロ-3-[(1-ヒドロキシシクロプロピル)メチル]-11,11-ジメチル-2,6-メタノ-3-ベンゾアゾシン-8-オール
  • (9S)-1-エチル-10-[(1-ヒドロキシシクロプロピル)メチル]-13,13-ジメチル-10-アザトリシクロ[7.3.1.02,7]トリデカ-2,4,6-トリエン-4-オール
  • (9S)-1-ethyl-10-[(1-hydroxycyclopropyl)methyl]-13,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-4-ol
Other name (3)：
  • (2S)-6-Ethyl-1,2,3,4,5,6-hexahydro-3-[(1-hydroxycyclopropyl)methyl]-11,11-dimethyl-2,6-methano-3-benzazocin-8-ol
  • (+)-Bremazocine
  • (+)-ブレマゾシン
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