1-cyclohexyl-1-phenyl-3-[(2H8)pyrrolidin-1-yl]propan-1-ol hydrochloride

• ChemBase ID: 176964
• Molecular Formular: C19H30ClNO
• Molecular Mass: 323.9006
• Monoisotopic Mass: 323.20159227
• SMILES: C1CCC(CC1)C(CCN1CCCC1)(c1ccccc1)O.Cl
• Canonical SMILES: OC(c1ccccc1)(C1CCCCC1)CCN1CCCC1.Cl
• InChI: InChI=1S/C19H29NO.ClH/c21-19(17-9-3-1-4-10-17,18-11-5-2-6-12-18)13-16-20-14-7-8-15-20;/h1,3-4,9-10,18,21H,2,5-8,11-16H2;1H
• InChIKey: ZFSPFXJSEHCTTR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclohexyl-1-phenyl-3-[(^2H₈)pyrrolidin-1-yl]propan-1-ol hydrochloride
• IUPAC Traditional name: 1-cyclohexyl-1-phenyl-3-[(^2H₈)pyrrolidin-1-yl]propan-1-ol hydrochloride
• Synonyms: α-Cyclohexyl-α-phenyl-1-(pyrrolidine-d8)propanol Hydrochloride; (±)-Procyclidine-d8 Hydrochloride; 1-Cyclohexyl-1-phenyl-3-(pyrrolidino-d8)-1-propanol hydrochloride; Arpicolin-d8; Kemadrin-d8; Kemadrin-d8 Hydrochloride; Osnervan-d8; Tricyclamol-d8 Hydrochloride; Procyclidine-d8 Hydrochloride

Database IDs

• PubChem SID: 164232874
• PubChem CID: 71751793

CALCULATED PROPERTIES

• Acid pKa: 13.840035
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.41974708
• LogD (pH = 7.4): 1.7523681
• Log P: 3.788117
• Molar Refractivity: 88.6042 cm^3
• Polarizability: 34.990223 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - P755842

A labelled anticholinergic drug used in the treatment parkinson’s disease. It is also used to treat patients suffering from drug-induced parkinsonism, akathisia and acute dystonia.

REFERENCES

• Salako, L.A.: Arch. Int. Pharmacodyn, Ther., 184, 233 (1970)
• Vas, C.J. et al.: Neurol., 19, 234 (1970)