Compound: carbetapentane
SMILES: O=C(OCCOCCN(CC)CC)C1(c2ccccc2)CCCC1
InChIKey: CFJMRBQWBDQYMK-UHFFFAOYSA-N
Synonyms: carbetapentane, Pentoxyverine, 77-23-6, Pentoxiverin, Pentoxyverin, Atussil, Pentoxiverina, Pentoxyverinum, 1-Phenyl-1-cyclopentanecarboxylate, Sedotussin, UCB 2543, DTXSID9022734, 2-(2-Diethylaminoethoxy)ethyl 1-phenylcyclopentanecarboxylate, 2-(Diethylaminoethoxy)ethyl 1-phenyl-1-cyclopentanecarboxylate, 2-(Diethylaminoethoxy)ethyl 1-phenylcyclopentyl-1-carboxylate, 32C726X12W, 1-Phenylcyclopentane-1-carboxylic acid diethylaminoethoxyethyl ester, Ethanol, 2-(2-(diethylamino)ethoxy)-, 1-phenylcyclopentanecarboxylate (ester), DTXCID102734, 1-Phenylcyclopentanecarboxylic acid 2-(2-diethylaminoethoxy)ethyl ester, 1-Phenylcyclopentanecarboxylic acid,2-(2-(diethylamino)ethoxy)ethyl ester, 1-phenylcyclopentanecarboxylic acid 2-[2-(diethylamino)ethoxy]ethyl ester, 1-phenylcyclopentanecarboxylic acid 2-(2-(diethylamino)ethoxy)ethyl ester, Ethanol, 2-[2-(diethylamino)ethoxy]-, 1-phenylcyclopentanecarboxylate (ester), RefChem:123516, R05DB05, 2-(2-diethylaminoethoxy)ethyl 1-phenylcyclopentyl-1-carboxylate, 201-014-1, 2-(2-(diethylamino)ethoxy)ethyl 1-phenylcyclopentanecarboxylate, U.C.B. 2543, 2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopentane-1-carboxylate, CHEMBL73234, Cyclopentanecarboxylic acid, 1-phenyl-, 2-(2-(diethylamino)ethoxy)ethyl ester, Pentoxyverine (INN), NCGC00024595-03, Pentoxiverinum, Sedotussin (TN), Cyclopentanecarboxylic acid, 1-phenyl-, 2-[2-(diethylamino)ethoxy]ethyl ester, PENTOXYVERINE [INN], Pentoxiverine, 2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopentanecarboxylate, Pentoxyverine [INN:BAN], CAS-77-23-6, Pentoxyverinum [INN-Latin], Pentoxiverina [INN-Spanish], HSDB 3299, EINECS 201-014-1, BRN 2299701, PENTOXYVERINE (BASE), 2-(2-(diethylamino)ethoxy)ethyl 1-phenylcyclopentane-1-carboxylate, UNII-32C726X12W, CARBAPENTANE, Toclase (Salt/Mix), Tuclase (Salt/Mix), Pentoxyverine Hydrogen, Spectrum_001366, Spectrum_001952, Tocris-0454, Sedotussin (Salt/Mix), Pentoxyverine (Standard), Prestwick0_000387, Prestwick1_000387, Prestwick2_000387, Prestwick3_000387, Spectrum2_001412, Spectrum3_000922, Spectrum4_001021, CARBETAPENTANE [MI], Cyclopentanecarboxylic acid, 1-phenyl-, 2-(2-(diethylamino)ethoxy)ethylester, PENTOXYVERINE [HSDB], Lopac0_000313, SCHEMBL67879, BSPBio_000573, KBioGR_001541, KBioSS_001846, KBioSS_002506, cid_90010, CARBETAPENTANE [VANDF], DivK1c_000356, PENTOXYVERINE [MART.], SPBio_001484, SPBio_002494, PENTOXYVERINE [WHO-DD], BPBio1_000631, orb1704841, BDBM94507, CHEBI:94484, KBio1_000356, KBio2_001846, KBio2_002498, KBio2_004414, KBio2_005066, KBio2_006982, KBio2_007634, KBio3_001924, NINDS_000356, HMS5086G10, MSK10300, Tox21_110909, EBC-26624, PDSP1_001673, PDSP2_001656, AKOS015918339, Tox21_110909_1, CCG-204408, DB11186, HY-134004R, SDCCGSBI-0050301.P004, IDI1_000356, NCGC00024595-01, NCGC00024595-02, NCGC00024595-04, NCGC00024595-05, NCGC00024595-06, NCGC00024595-08, NCGC00024595-15, MS-25033, SBI-0050301.P003, DB-056191, HY-134004, AB00053602, CS-0136428, NS00006529, S0869, D08334, F87719, AB00053602_09, EN300-18551609, Q174786, BRD-K06181161-048-04-5, BRD-K06181161-048-07-8, BRD-K06181161-048-15-1, BRD-K06181161-048-16-9, 1-Cyclopentanecarboxylate, 2-(diethylaminoethoxy)ethyl-1-phenyl-, 2-[2-(Diemthylamino)ethoxy]ethyl 1-phenylcyclopentanecarboxylate, 2-{[2-(diethylamino)ethyl]oxy}ethyl 1-phenylcyclopentanecarboxylate, 1-phenyl-1-cyclopentanecarboxylic acid 2-[2-(diethylamino)ethoxy]ethyl ester, citric acid;1-phenylcyclopentanecarboxylic acid 2-[2-(diethylamino)ethoxy]ethyl ester, 2-(2-Diethylaminoethoxy)ethyl 1-phenylcyclopentane-1-carboxylate; 2-hydroxypropane-1,2,3-tricarboxylic acid, 2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopentane-1-carboxylate;2-oxidanylpropane-1,2,3-tricarboxylic acid, 2-hydroxypropane-1,2,3-tricarboxylic acid;1-phenyl-1-cyclopentanecarboxylic acid 2-[2-(diethylamino)ethoxy]ethyl ester
Theoretical properties:
molecular_formula: C20H31NO3
molecular_weight: 333.5 g/mol
exact_mass: 333.23039385 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 11
heavy_atom_count: 24
topological_polar_surface_area: 38.8 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
boiling_point: 165-170 °C @ 0.01 MM OF HG
melting_point: 90-95
Descriptions:
pubchem: 1-phenyl-1-cyclopentanecarboxylic acid 2-[2-(diethylamino)ethoxy]ethyl ester is a member of benzenes.
chembl: CARBETAPENTANE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: Pentoxyverine (rINN) or carbetapentane is an antitussive (cough suppressant) commonly used for cough associated with illnesses like common cold. It is sold over-the-counter as Solotuss, or in combination with other medications, especially decongestants. One such product is Certuss, a combination of guaifenesin and pentoxyverine. The drug has been available in the form of drops, suspensions and suppositories. 
It was formerly available over-the-counter in United States. However, the U.S. Food & Drug Administration ruled in 1987 that pentoxyverine was not generally recognized as safe and effective and ordered it to be removed from the over-the-counter market.