(3-carbamoyl-3,3-diphenylpropyl)(methyl)bis(propan-2-yl)azanium

• ChemBase ID: 1401
• Molecular Formular: C23H33N2O+
• Molecular Mass: 353.52092
• Monoisotopic Mass: 353.25928869
• SMILES: O=C(N)C(CC[N+](C(C)C)(C(C)C)C)(c1ccccc1)c1ccccc1
• Canonical SMILES: CC([N+](C(C)C)(CCC(c1ccccc1)(c1ccccc1)C(=O)N)C)C
• InChI: InChI=1S/C23H32N2O/c1-18(2)25(5,19(3)4)17-16-23(22(24)26,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,18-19H,16-17H2,1-5H3,(H-,24,26)/p+1
• InChIKey: JTPUMZTWMWIVPA-UHFFFAOYSA-O

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-carbamoyl-3,3-diphenylpropyl)(methyl)bis(propan-2-yl)azanium
• IUPAC Traditional name: isopropamide
• Brand Name: Darbid; Dipramid; Dipramide; Isamid; Marygin-M; Piaccamide; Priamide; Priazimide; Sanulcin; Tyrimide
• Synonyms: 2,2-Diphenyl-4-diisopropylaminobutyramide methiodide; 4-(Diisopropylamino)-2,2-diphenylbutyramide methiodide; Chloroisopropamide; Isopropamide iodide; Isoproponum iodide; Isopropamide

Database IDs

• CAS Number: 7492-32-2
• PubChem SID: 46507726; 160964861
• PubChem CID: 3775

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.314844
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.13792199
• LogD (pH = 7.4): 0.13792323
• Log P: 0.13792197
• Molar Refractivity: 120.7427 cm^3
• Polarizability: 42.898727 Å^3
• Polar Surface Area: 43.09 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

ALOGPS 2.1

• Log P: 2.27
• LOG S: -6.96
• Solubility (Water): 4.24e-05 g/l

DETAILS

DrugBank - DB01625

• Drug Groups: approved
• Description: Isopropamide iodide is a long-acting quaternary anticholinergic drug. It is used in the treatment of peptic ulcer and other gastrointestinal disorders marked by hyperacidity and hypermotility.
• Indication: For the treatment of a wide range of gastrointestinal disorders, including such conditions as peptic ulcer, gastritis, hyperchlorhydria, functional diarrhea, irritable or spastic colon, pyloroduodenal irritability, pylorospasm, acute nonspecific gastroenteritis, biliary dyskinesia and chronic cholelithiasis, duodenitis, gastrointestinal spasm; it may also be used to treat genitourinary spasm.
• Pharmacology: Isopropamide is a long-acting quaternary anticholinergic drug. It is used in the treatment of peptic ulcer and other gastrointestinal disorders marked by hyperacidity and hypermotility.
• Toxicity: Symptoms of overdose include dryness of mouth, dysphagia, thirst, blurred vision, dilated pupils, photophobia, fever, rapid pulse and respiration, disorientation. Depression and circulatory collapse may result from severe overdosage.
• Affected Organisms: Humans and other mammals
• External Links: Wikipedia