(3S)-3-methyl-4-(morpholin-4-yl)-2,2-diphenyl-1-(pyrrolidin-1-yl)butan-1-one

• ChemBase ID: 126932
• Molecular Formular: C25H32N2O2
• Molecular Mass: 392.53378
• Monoisotopic Mass: 392.24637827
• SMILES: C[C@H](CN1CCOCC1)C(c1ccccc1)(c1ccccc1)C(=O)N1CCCC1
• Canonical SMILES: C[C@@H](C(C(=O)N1CCCC1)(c1ccccc1)c1ccccc1)CN1CCOCC1
• InChI: InChI=1S/C25H32N2O2/c1-21(20-26-16-18-29-19-17-26)25(22-10-4-2-5-11-22,23-12-6-3-7-13-23)24(28)27-14-8-9-15-27/h2-7,10-13,21H,8-9,14-20H2,1H3/t21-/m1/s1
• InChIKey: INUNXTSAACVKJS-OAQYLSRUSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3S)-3-methyl-4-(morpholin-4-yl)-2,2-diphenyl-1-(pyrrolidin-1-yl)butan-1-one
• IUPAC Traditional name: dextromoramide
• Synonyms: Dextromoramide

Database IDs

• CAS Number: 357-56-2
• PubChem SID: 162221258
• PubChem CID: 92943
• ATC CODE: N02AC01
• CHEMBL: 431928
• Chemspider ID: 83901
• DrugBank ID: DB01529
• KEGG ID: D07287
• Unique Ingredient Identifier: 9S4S6CIY83
• Wikipedia Title: Dextromoramide

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.5076978
• LogD (pH = 7.4): 3.2307322
• Log P: 3.7531147
• Molar Refractivity: 117.3748 cm^3
• Polarizability: 45.848522 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Admin Routes: Oral, Intravenous, Insufflation
• Bioavailability: "High"
• Half Life: 1.5 - 4.7 hours
• Legal Status: Schedule I (US)