3,4-dichloro-N-methyl-N-[2-(pyrrolidin-1-yl)cyclohexyl]benzamide

• ChemBase ID: 105362
• Molecular Formular: C18H24Cl2N2O
• Molecular Mass: 355.30196
• Monoisotopic Mass: 354.12656876
• SMILES: CN(C1CCCCC1N1CCCC1)C(=O)c1ccc(Cl)c(Cl)c1
• Canonical SMILES: CN(C(=O)c1ccc(c(c1)Cl)Cl)C1CCCCC1N1CCCC1
• InChI: InChI=1S/C18H24Cl2N2O/c1-21(18(23)13-8-9-14(19)15(20)12-13)16-6-2-3-7-17(16)22-10-4-5-11-22/h8-9,12,16-17H,2-7,10-11H2,1H3
• InChIKey: JUBNVWGVNWIXMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,4-dichloro-N-methyl-N-[2-(pyrrolidin-1-yl)cyclohexyl]benzamide
• IUPAC Traditional name: 3,4-dichloro-N-methyl-N-[2-(pyrrolidin-1-yl)cyclohexyl]benzamide
• Synonyms: cis-(±)-3,4-DICHLORO-N-METHYL-N-(2-[1-PYRROLIDINYL]CYCLO-HEXYL)BENZENEACETAMIDE

Database IDs

• CAS Number: 92953-41-8
• PubChem SID: 162092326
• PubChem CID: 3970042

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.95911485
• LogD (pH = 7.4): 2.3151188
• Log P: 4.3182387
• Molar Refractivity: 96.1829 cm^3
• Polarizability: 37.26449 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%

DETAILS

MP Biomedicals - 02159912

(U-54494A)
Hydrochloride
Purity: 98%
Potent NMDA antagonist.

REFERENCES

• Sethy, V.H. and Sage, G.P., Neuropharmacol., 31: 111 (1992).