Chem
J-GLOBAL ID：200907067720038762   Nikkaji number：J239.316F

Etoxadrol

エトキサドロール
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： C16H23NO2
Molecular formula furigana： C16-H23-N-O2
Molecular weight： 261.365
InChI： InChI=1S/C16H23NO2/c1-2-16(13-8-4-3-5-9-13)18-12-15(19-16)14-10-6-7-11-17-14/h3-5,8-9,14-15,17H,2,6-7,10-12H2,1H3/t14-,15+,16-/m0/s1
InChI key： INOYCBNLWYEPSB-XHSDSOJGSA-N
SMILES： CC[C@@]1(OC[C@@H](O1)[C@@H]1CCCCN1)c1ccccc1
Systematic name  (3)：
  • (S)-2-[(2S)-2-エチル-2α-フェニル-1,3-ジオキソラン-4β-イル]ピペリジン
  • (2S)-2-[(2S,4S)-2-エチル-2-フェニル-1,3-ジオキソラン-4-イル]ピペリジン
  • (2S)-2-[(2S,4S)-2-ethyl-2-phenyl-1,3-dioxolan-4-yl]piperidine
Other name (3)：
  • (S)-2-[(2S)-2-Ethyl-2α-phenyl-1,3-dioxolan-4β-yl]piperidine
  • エトキサドロール
  • Etoxadrol
CAS registry number： 28189-85-7
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