Chem
J-GLOBAL ID：200907087880409881   Nikkaji number：J1.744.945A

1-[3-[(2R)-2β-[(S)-1-Hydroxypropyl]-4β-benzylpiperidino]propyl]-3-(3-acetylphenyl)urea

1-[3-[(2R)-2β-[(S)-1-ヒドロキシプロピル]-4β-ベンジルピペリジノ]プロピル]-3-(3-アセチルフェニル)尿素
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： C27H37N3O3
Molecular formula furigana： C27-H37-N3-O3
Molecular weight： 451.611
InChI： InChI=1S/C27H37N3O3/c1-3-26(32)25-18-22(17-21-9-5-4-6-10-21)13-16-30(25)15-8-14-28-27(33)29-24-12-7-11-23(19-24)20(2)31/h4-7,9-12,19,22,25-26,32H,3,8,13-18H2,1-2H3,(H2,28,29,33)/t22-,25-,26+/m1/s1
InChI key： UEKNCACYTQCRSI-RCXJIHSJSA-N
SMILES： CC[C@H](O)[C@H]1C[C@@H](Cc2ccccc2)CCN1CCCNC(=O)Nc1cccc(c1)C(=O)C
Systematic name  (3)：
  • 1-[3-[(2R)-2β-[(S)-1-ヒドロキシプロピル]-4β-ベンジルピペリジノ]プロピル]-3-(3-アセチルフェニル)尿素
  • 1-(3-アセチルフェニル)-3-{3-[(2R,4S)-4-ベンジル-2-[(1S)-1-ヒドロキシプロピル]ピペリジン-1-イル]プロピル}尿素
  • 1-(3-acetylphenyl)-3-{3-[(2R,4S)-4-benzyl-2-[(1S)-1-hydroxypropyl]piperidin-1-yl]propyl}urea
Other name (1)：
  • 1-[3-[(2R)-2β-[(S)-1-Hydroxypropyl]-4β-benzylpiperidino]propyl]-3-(3-acetylphenyl)urea
Thsaurus map：
Thesaurus Map

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