1-cyclohexyl-1-phenyl-3-(pyrrolidin-1-yl)propan-1-ol hydrochloride

• ChemBase ID: 104550
• Molecular Formular: C19H30ClNO
• Molecular Mass: 323.9006
• Monoisotopic Mass: 323.20159227
• SMILES: Cl.OC(CCN1CCCC1)(C1CCCCC1)c1ccccc1
• 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-(pyrrolidin-1-yl)propan-1-ol hydrochloride
• IUPAC Traditional name: procyclidine hydrochloride
• Synonyms: α-Cyclohexyl-α-phenyl-1-pyrrolidinepropanol; Procyclidine hydrochloride; α-Cyclohexyl-α-phenyl-1-pyrrolidinepropanol; PROCYCLIDINE HYDROCHLORIDE; α-Cyclohexyl-α-phenyl-1-pyrrolidinepropanol Hydrochloride; (±)-Procyclidine Hydrochloride; 1-Cyclohexyl-1-phenyl-3-pyrrolidino-1-propanol hydrochloride; Arpicolin; Kemadrin; Kemadrin Hydrochloride; Osnervan; Tricyclamol Hydrochloride

Database IDs

• CAS Number: 1508-76-5
• EC Number: 216-141-8
• MDL Number: MFCD00079236
• PubChem SID: 24898455; 162091831
• PubChem CID: 207841

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

PROPERTIES

Safety Information

• Storage Condition: 2-8°C
• RTECS: UY1926000
• German water hazard class: 3
• Storage Temperature: 2-8°C

Pharmacology Properties

• Target: Others

Product Information

• Salt Data: hydrochloride

DETAILS

MP Biomedicals - 02156372

Hydrochloride

Sigma Aldrich - P3794

Biochem/physiol Actions
Atropine-like antispasmodic

Toronto Research Chemicals - P755840

An 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)