Chem
J-GLOBAL ID：200907001101109298   Nikkaji number：J1.985.383G

Calhex 231

カルヘックス231
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： C25H27ClN2O
Molecular formula furigana： C25-H27-CL-N2-O
Molecular weight： 406.950
InChI： InChI=1S/C25H27ClN2O/c1-17(21-10-6-8-18-7-2-3-9-22(18)21)27-23-11-4-5-12-24(23)28-25(29)19-13-15-20(26)16-14-19/h2-3,6-10,13-17,23-24,27H,4-5,11-12H2,1H3,(H,28,29)/t17-,23+,24+/m1/s1
InChI key： YTFUQWWKTIWYEY-CQLNOVPUSA-N
SMILES： C[C@@H](N[C@H]1CCCC[C@@H]1NC(=O)c1ccc(Cl)cc1)c1cccc2ccccc12
Systematic name  (3)：
  • 4-クロロ-N-[(1S,2S)-2-[(R)-1-(1-ナフチル)エチルアミノ]シクロヘキシル]ベンズアミド
  • 4-クロロ-N-[(1S,2S)-2-{[(1R)-1-(ナフタレン-1-イル)エチル]アミノ}シクロヘキシル]ベンズアミド
  • 4-chloro-N-[(1S,2S)-2-{[(1R)-1-(naphthalen-1-yl)ethyl]amino}cyclohexyl]benzamide
Other name (3)：
  • カルヘックス231
  • Calhex 231
  • 4-Chloro-N-[(1S,2S)-2-[(R)-1-(1-naphthyl)ethylamino]cyclohexyl]benzamide
CAS registry number： 652973-93-8
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