Chem
J-GLOBAL ID：201707019875169772   Nikkaji number：J3.616.850A

ML218

3,5-ジクロロ-N-[[(1R,5S)-3-(3,3-ジメチルブチル)-3-アザビシクロ[3.1.0]ヘキサ-6-イル]メチル]ベンズアミド
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： C19H26Cl2N2O
Molecular formula furigana： C19-H26-CL2-N2-O
Molecular weight： 369.330
InChI： InChI=1S/C19H26Cl2N2O/c1-19(2,3)4-5-23-10-16-15(17(16)11-23)9-22-18(24)12-6-13(20)8-14(21)7-12/h6-8,15-17H,4-5,9-11H2,1-3H3,(H,22,24)/t15?,16-,17+
InChI key： GSJIGYLGKSBYBC-ALOPSCKCSA-N
SMILES： CC(C)(C)CCN1C[C@H]2C(CNC(=O)c3cc(Cl)cc(Cl)c3)[C@H]2C1
Systematic name  (3)：
  • 3,5-ジクロロ-N-[[(1R,5S)-3-(3,3-ジメチルブチル)-3-アザビシクロ[3.1.0]ヘキサ-6-イル]メチル]ベンズアミド
  • 3,5-ジクロロ-N-{[(1R,5S)-3-(3,3-ジメチルブチル)-3-アザビシクロ[3.1.0]ヘキサン-6-イル]メチル}ベンズアミド
  • 3,5-dichloro-N-{[(1R,5S)-3-(3,3-dimethylbutyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl}benzamide
Other name (2)：
  • 3,5-Dichloro-N-[[(1R,5S)-3-(3,3-dimethylbutyl)-3-azabicyclo[3.1.0]hexa-6-yl]methyl]benzamide
  • ML218
CAS registry number： 1346233-68-8
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