Chem
J-GLOBAL ID:200907019641281851
Nikkaji number:J369.714B
(+)-Bremazocine
(+)-ブレマゾシン
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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:
C20 H29 NO2
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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