Compound: adiphenine
SMILES: O=C(OCCN(CC)CC)C(c1ccccc1)c2ccccc2
InChIKey: JGOAIQNSOGZNBX-UHFFFAOYSA-N
Synonyms: adiphenine, Adiphenin, Diphacil, Tranzetil, Trasentin, Difacil, 64-95-9, Patrovine, Spasmolytin, Transentine, Diphacyl, Vegantine, Adifenina, Trazentyna, Wegantyna, 2-(diethylamino)ethyl 2,2-diphenylacetate, Adipheninum, Diphenylacetyldiethylaminoethanol, 2-Diethylaminoethyl diphenylacetate, Diphenylacetic acid diethylaminoethyl ester, YKG6OR043Q, Diphenylacetic acid, 2-(diethylamino)ethyl ester, Acetic acid, diphenyl-, 2-(diethylamino)ester, DTXSID0022561, Benzeneacetic acid, alpha-phenyl-, 2-(diethylamino)ethyl ester, RefChem:109788, DTXCID402561, 200-599-0, Adiphenine [INN], SKF 962A, 2-(Diethylamino)ethyl diphenylacetate, Acetic acid, diphenyl-, 2-(diethylamino)ethyl ester, Diphenylacetic acid 2-(diethylamino)ethyl ester, 2-Diethylaminoethylester kyseliny difenyloctove, Benzeneacetic acid, .alpha.-phenyl-, 2-(diethylamino)ethyl ester, Wegantyna [Polish], Trazentyna [Polish], Adifenina [INN-Spanish], Adipheninum [INN-Latin], HSDB 3282, CAS-50-42-0, EINECS 200-599-0, UNII-YKG6OR043Q, BRN 1887268, Diphenylessigsaeure-beta-diethylaminoethylester, 2-Diethylaminoethylester kyseliny difenyloctove [Czech], 2-diethylaminoethyl 2,2-diphenylacetate, Ester dwuetyloaminoetylowy kwasu dwufenylooctowego [Polish], Spectrum_001316, ADIPHENINE [MI], Prestwick0_000075, Prestwick1_000075, Prestwick2_000075, Prestwick3_000075, Spectrum2_001517, Spectrum3_000954, Spectrum4_001067, Spectrum5_001260, ADIPHENINE [HSDB], ADIPHENINE [MART.], ADIPHENINE [WHO-DD], Ester dwuetyloaminoetylowy kwasu dwufenylooctowego, BSPBio_000289, CBDivE_011564, CBDivE_014652, Diphenylacetyldiethylaminoethyl, KBioGR_001394, KBioSS_001796, 4-09-00-02497 (Beilstein Handbook Reference), DivK1c_000221, SCHEMBL248213, SPBio_001593, SPBio_002210, Adiphenine chloride (Salt/Mix), BPBio1_000319, CHEMBL353846, orb1740540, CHEBI:94680, KBio1_000221, KBio2_001796, KBio2_004364, KBio2_006932, KBio3_002048, NINDS_000221, Benzeneacetic acid, alpha-phenyl-, 2-(diethylamino)ethyl ester,, BDBM50395519, Benzeneacetic acid, alpha-phenyl-, 2-(diethylamino)ethyl ester, (9CI), STK178819, AKOS003656896, Diphenylacetate du diethylamino-ethanol, IDI1_000221, NCGC00016221-01, NCGC00016221-02, NCGC00016221-03, NCGC00016221-04, SBI-0051763.P002, AB00053636, CS-0079535, NS00006612, ST50995221, AB00053636_13, AB00053636_14, Ethanol, 2-(diethylamino)-, 2,2-diphenylacetate, 2,2-diphenylacetic acid 2-(diethylamino)ethyl ester, Q4057596, BRD-K60907894-003-04-5, BRD-K60907894-003-14-4, BRD-K60907894-003-22-7, BRD-K60907894-003-23-5, BENZENEACETIC ACID, .ALPHA.-PHENYL-2-(DIETHYLAMINO)ETHYL ESTER
Theoretical properties:
molecular_formula: C20H25NO2
molecular_weight: 311.4 g/mol
exact_mass: 311.188529040 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 9
heavy_atom_count: 23
topological_polar_surface_area: 29.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
melting_point: Crystals. MP: 113-114 °C; Readily soluble in water; very sparingly soluble in alcohol, ether /Hydrochloride/
Descriptions:
pubchem: 2,2-diphenylacetic acid 2-(diethylamino)ethyl ester is a diarylmethane.
chembl: ADIPHENINE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: Adiphenine is an inhibitor of nicotinic receptors.