Compound: terfenadine
SMILES: OC(c1ccccc1)(c2ccccc2)C3CCN(CCCC(O)c4ccc(C(C)(C)C)cc4)CC3
InChIKey: GUGOEEXESWIERI-UHFFFAOYSA-N
Synonyms: terfenadine, 50679-08-8, Seldane, Triludan, Teldane, Ternadin, Aldaban, Allerplus, Teldanex, Terdin, Terfenadina, Terfen, RMI 9918, Terfenadinum, Terfex, RMI-9918, Terfenadinum [INN-Latin], Terfenadina [INN-Spanish], MDL 9918, Terfenadin, DTXSID2023642, NSC-665802, NSC-758627, 7BA5G9Y06Q, 1-(4-tert-butylphenyl)-4-[4-(hydroxydiphenylmethyl)piperidin-1-yl]butan-1-ol, alpha-(4-(1,1-Dimethylethyl)phenyl)-4-(hydroxydiphenylmethyl)-1-piperidinebutanol, alpha-[4-(1,1-Dimethylethyl)phenyl]-4-(hydroxydiphenylmethyl)-1-piperidinebutanol, 1-Piperidinebutanol, alpha-(4-(1,1-dimethylethyl)phenyl)-4-(hydroxydiphenylmethyl)-, DTXCID503642, Terfenidine, NSC665802, Terfenadinum (INN-Latin), Terfenadina (INN-Spanish), 1-(4-tert-butylphenyl)-4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)butan-1-ol, alpha-(4-[1,1-Dimethylethyl]phenyl)-4-[hydroxydiphenylmethyl]-1-piperidinebutanol, Terfenadin Ratiopharm, RMI9918, Histafen, Terfenor, Terfenor fte, Triludan fte, (RS)-1-(4-tert-butylphenyl)-4-(4-(hydroxy(diphenyl)methyl)piperidin-1-yl)-butan-1-ol, (RS)-1-(4-tert-butylphenyl)-4-{4-[hydroxy(diphenyl)methyl]piperidin-1-yl}-butan-1-ol, 1-(4-tert-butylphenyl)-4-(4-(hydroxy-di(phenyl)methyl)piperidin-1-yl)butan-1-ol, 1-(4-tert-butylphenyl)-4-[4-[hydroxy-di(phenyl)methyl]piperidin-1-yl]butan-1-ol, Terfinax 60, alpha-(4-(1,1-Dimethylethyl)phenyl)-4-(hydroxydiphenylmethyl)-1-piperdinebutanol, Histafen 120, Terfinax 120, RefChem:891400, R06AX12, 256-710-8, Nebralin, 1-(4-(tert-butyl)phenyl)-4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)butan-1-ol, MFCD00079622, 1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol, MDL-9918, alpha-(p-tert-Butylphenyl)-4-(hydroxydiphenylmethyl)-1-piperidinebutanol, CHEMBL17157, 1-Piperidinebutanol, .alpha.-[4-(1,1-dimethylethyl)phenyl]-4-(hydroxydiphenylmethyl)-, MLS000028499, Cyater, NCGC00016064-04, NCGC00016064-06, SMR000058260, 1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]-1-piperidyl]butan-1-ol, 1-(4-(tert-Butyl)phenyl)-4-(4-(hydroxydiphenylmethyl)-piperidin-1-yl)butan-1-ol, C32H41NO2, Seldane (TN), BRN 5857899, HSDB 6508, SR-01000000104, EINECS 256-710-8, teraenadine, UNII-7BA5G9Y06Q, Terfenadine (JAN/USAN/INN), Terfenadine CRS, 1-PIPERIDINEBUTANOL, .ALPHA.-(4-(1,1-DIMETHYLETHYL)PHENYL)-4-(HYDROXYDIPHENYLMETHYL)-, Prestwick_460, 1-(4-tert-Butylphenyl)-4-(4-(alpha-hydroxybenzhydryl)piperidino)-butan-1-ol, 1-(p-tert-Butylphenyl)-4-(4'-(alpha-hydroxydiphenylmethyl)-1'-piperidyl)butanol, CAS-50679-08-8, Terfenadine [USAN:USP:INN:BAN:JAN], Terfenadine (Standard), Opera_ID_334, TERFENADINE [MI], Prestwick0_000138, Prestwick1_000138, Prestwick2_000138, Prestwick3_000138, TERFENADINE [INN], TERFENADINE [JAN], (.+/-.)-Terfenadine, TERFENADINE [HSDB], TERFENADINE [USAN], T 9652, TERFENADINE [VANDF], SCHEMBL5152, TERFENADINE [MART.], Lopac0_001213, Oprea1_343139, BSPBio_000216, TERFENADINE [WHO-DD], MLS001148415, DivK1c_001011, SPBio_002155, BPBio1_000238, CHEBI:9453, GTPL2608, orb1309179, orb3025040, HMS503K03, HY-B1193R, KBio1_001011, TERFENADINE [EP IMPURITY], NINDS_001011, Terfenadine  - Bio-X trade mark, GLXC-07702, HMS1568K18, HMS2089I14, HMS2093I11, HMS2095K18, HMS2231N07, HMS3263D08, HMS3373J07, HMS3712K18, HMS5083M13, Pharmakon1600-01503708, TERFENADINE [EP MONOGRAPH], HY-B1193, MSK10149, Tox21_110295, Tox21_110296, Tox21_501213, AC-928, BDBM50017376, EBC-27180, NSC758627, s4353, AKOS015962091, Tox21_110295_1, CCG-205287, CS-4800, DB00342, FD28043, LP01213, NSC 665802, NSC 758627, SDCCGSBI-0051180.P004, 1-[4-(1,1-dimethylethyl)phenyl]-4-{4-[hydroxy(diphenyl)methyl]piperidin-1-yl}butan-1-ol, IDI1_001011, NCGC00016064-03, NCGC00016064-05, NCGC00016064-08, NCGC00016064-09, NCGC00016064-12, NCGC00016064-19, NCGC00089746-02, NCGC00089746-03, NCGC00089746-04, NCGC00261898-01, AC-15791, AS-75636, BT166253, NCI60_022784, SBI-0051180.P003, DB-051821, AB00052367, EU-0101213, NS00006817, ST50307835, SW196677-3, T3977, BIM-0051180.0001, C07463, D00521, D82079, AB00052367-16, AB00052367_17, AB00052367_18, EN300-22527913, L000888, Q417909, ( inverted exclamation markA)-Terfenadine;MDL-991, SR-01000000104-2, SR-01000000104-4, SR-01000000104-7, BRD-A06352418-001-03-6, BRD-A06352418-001-15-0, BRD-A06352418-001-24-2, BRD-A06352418-001-25-9, Terfenadine, European Pharmacopoeia (EP) Reference Standard, Terfenadine, United States Pharmacopeia (USP) Reference Standard, .alpha.-(p-tert-Butylphenyl)-4-(hydroxydiphenylmethyl)-1-piperidinebutanol, 1-[4-(tert-butyl)phenyl]-4-[4-(hydroxydiphenylmethyl)piperidyl]butan-1-ol, a-[4-(1,1-Dimethylethyl)phenyl]-4-(hydroxydiphenylmethyl)-piperidinebutanol, (+/-)1-(4-tert-butylphenyl)-4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)butan-1-ol, .alpha.-(4-(1,1-dimethylethyl)phenyl)-4-(hydroxydiphenyl-methyl)-1-piperidine butanol, .alpha.-(4-(1,1-Dimethylethyl)phenyl)-4-(hydroxydiphenylmethyl)-1-piperidinebutanol, 1-(4-tert-Butyl-phenyl)-4-[4-(hydroxy-diphenyl-methyl)-piperidin-1-yl]-butan-1-ol, 1-(4-tert-Butylphenyl)-4-(4-[hydroxy(diphenyl)methyl]-1-piperidinyl)-1-butanol #, 1-(4-tert-Butylphenyl)-4-{4-[hydroxydi(phenyl)methyl]piperidin-1-yl}butan-1-ol, a-[4-(1,1-Dimethylethyl)phenyl]-4-(hydroxydiphenylmethyl)-1-piperidinebutanol, alpha-[4-(1,1-Dmethylethyl)phenyl]-4-(hydroxydiphenylmethyl)-1-piperidinebutanol, (1RS)-1-[4-(1,1-Dimethylethyl)phenyl]-4-[4-(hydroxydiphenylmethyl)piperidin-1-yl]butan-1-ol, 1-(4-tert-Butyl-phenyl)-4-[4-(hydroxy-diphenyl-methyl)-piperidin-1-yl]-butan-1-ol(Terfenadine)
Theoretical properties:
molecular_formula: C32H41NO2
molecular_weight: 471.7 g/mol
exact_mass: 471.313729551 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 9
heavy_atom_count: 35
topological_polar_surface_area: 43.7 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: White to off-white crystalline powder
color: White to off-white crystalline powder
Descriptions:
pubchem: Terfenadine is a diarylmethane.
chembl: TERFENADINE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: Terfenadine is an antihistamine formerly used for the treatment of allergic conditions. It was brought to market by Hoechst Marion Roussel (now Sanofi) and was marketed under various brand names, including Seldane in the United States, Triludan in the United Kingdom, and Teldane in Australia. It was superseded by its active metabolite fexofenadine in the 1990s due to the risk of a particular type of disruption of the electrical rhythms of the heart (specifically cardiac arrhythmia caused by QT interval prolongation) and has been withdrawn from most of markets worldwide.