Compound: isopropamide
SMILES: O=C(N)C(c1ccccc1)(c2ccccc2)CC[N+](C(C)C)(C(C)C)C
InChIKey: JTPUMZTWMWIVPA-UHFFFAOYSA-O
Synonyms: isopropamide, 7492-32-2, Isopropamid, Isopropamide ion, (3-Carbamoyl-3,3-diphenylpropyl)diisopropylmethylammonium, Isopropamide cation, DTXSID9023174, EINECS 231-316-9, 8B9I31H724, BRN 3913368, ISOPROPAMIDE [VANDF], ISOPROPAMIDE [WHO-DD], DTXCID203174, AMMONIUM, (3-CARBAMOYL-3,3-DIPHENYLPROPYL)DIISOPROPYLMETHYL-, Benzenepropanaminium, .gamma.-(aminocarbonyl)-N-methyl-N,N-bis(1-methylethyl)-.gamma.-phenyl-, Benzenepropanaminium, gamma-(aminocarbonyl)-N-methyl-N,N-bis(1-methylethyl)-gamma-phenyl-, RefChem:792089, (3-carbamoyl-3,3-diphenylpropyl)(methyl)bis(propan-2-yl)azanium, 231-316-9, Chloroisopropamide, 2,2-Diphenyl-4-diisopropylaminobutyramide methiodide, 4-(Diisopropylamino)-2,2-diphenylbutyramide methiodide, Priamide Eupharma, NCGC00016308-01, (4-amino-4-oxo-3,3-diphenylbutyl)-methyl-di(propan-2-yl)azanium, Ammonium, (3-carbamoyl-3,3-diphenylpropyl)diisopropylmethyl- (8CI), CAS-7492-32-2, SKF 4740, 5579 MD, R 79, 5579 M.D., UNII-8B9I31H724, isopropamide-iodide, component of Combid, Spectrum_000203, Prestwick0_000770, Prestwick1_000770, Prestwick2_000770, Prestwick3_000770, Spectrum2_001051, Spectrum3_000473, Spectrum4_000023, Spectrum5_000878, cid_6284, BSPBio_000820, BSPBio_002206, KBioGR_000425, KBioSS_000683, DivK1c_000240, SCHEMBL100256, SPBio_001002, SPBio_002759, BPBio1_000902, CHEBI:6043, orb1696902, CHEMBL1201232, BDBM82074, KBio1_000240, KBio2_000683, KBio2_003251, KBio2_005819, KBio3_001426, JTPUMZTWMWIVPA-UHFFFAOYSA-O, NINDS_000240, NSC_6284, NSC15521, NSC15548, Tox21_110362, 4-amino-N,N-diisopropyl-N-methyl-4-oxo-3,3-diphenylbutan-1-aminium, AKOS040752123, Tox21_110362_1, DB01625, CAS-71-81-8, IDI1_000240, NCGC00016308-02, NCGC00016308-03, NCGC00016308-06, CAS_7492-32-2, SBI-0051420.P003, AB00053803, NS00008406, C07055, AB00053803_12, Ammonium,3-diphenylpropyl)diisopropylmethyl-, iodide, Q3803303, BRD-K14127446-005-22-7, (3-Carbamoyl-3,3-diphenylpropyl)diisopropylmethyl ammonium iodide, Benzenepropanaminium,N-bis(1-methylethyl)-.gamma.-phenyl-, chloride, Benzenepropanaminium,N-bis(1-methylethyl)-.gamma.-phenyl-, iodide, (4-amino-4-oxo-3,3-diphenylbutyl)-methyl-di(propan-2-yl)azanium chloride, 4-Amino-N-methyl-4-oxo-3,3-diphenyl-N,N-di(propan-2-yl)butan-1-aminium, 4-amino-N-methyl-N,N-bis(1-methylethyl)-4-oxo-3,3-diphenylbutan-1-aminium
Theoretical properties:
molecular_formula: C23H33N2O+
molecular_weight: 353.5 g/mol
exact_mass: 353.259288680 g/mol
formal_charge: 1
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 1
rotatable_bond_count: 8
heavy_atom_count: 26
topological_polar_surface_area: 43.1 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
melting_point: 182-184
solubility: 4.24e-05 g/L
Descriptions:
pubchem: Isopropamide is a diarylmethane.
chembl: ISOPROPAMIDE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: Isopropamide (R79) is a long-acting anticholinergic drug. It is used in the treatment of peptic ulcers and other gastrointestinal disorders involving hyperacidity (gastrointestinal acidosis) and hypermotility. Chemically, it contains a quaternary ammonium group. It is most often provided as an iodide salt, but is also available as a bromide or chloride salt. It was discovered at Janssen Pharmaceutica in 1954.