Compound: Cinchophen
SMILES: O=C(O)c1c2c(nc(c1)-c3ccccc3)cccc2
InChIKey: YTRMTPPVNRALON-UHFFFAOYSA-N
Synonyms: Cinchophen, 132-60-5, 2-Phenylquinoline-4-carboxylic acid, 2-Phenyl-4-quinolinecarboxylic acid, 2-Phenylcinchoninic acid, Atophan, Cinchophene, Phenoquin, Quinophan, Quinophen, Cinconal, Quinofen, Tervalon, Agotan, Mylofanol, Rhematan, Tophosan, Alutyl, Atocin, Rheumin, Tophol, Vantyl, Viophan, Artam, Cinchophenic acid, Aciphenochinolinium, Aminophan, Cincosal, Ikterosan, Phenophan, Traubofan, Artexin, Atigoa, Aciphenochinoline, 2-Phenylcinchonic acid, Acifenokinolin, Cincofeno, Artamin, 4-Quinolinecarboxylic acid, 2-phenyl-, Cinchoninic acid, 2-phenyl-, Cinchophenum, Cincofene, Phenylcinchoninic Acid, DTXSID0040705, 2-Phenylquinoline-4-carboxlic acid, NSC-2617, 39Y533Z02M, DTXCID8020705, aciphenochinolium, aciphenocholinum, RefChem:126201, M04AC02, methylium phenylcinchoninicum (for ester), 205-067-1, Cinchopen, Atofan, CINCOPHEN, MFCD00006750, 2-Phenyl-quinoline-4-carboxylic acid, NSC 2617, MLS000053018, CHEMBL348000, NCGC00018221-06, NCGC00018221-08, SMR000059017, S4190, Aciphenochinolinum, Cincofene [DCIT], WLN: T66 BNJ CR & EVQ, Cincofeno [INN-Spanish], Cinchophene [INN-French], Cinchophenum [INN-Latin], CAS-132-60-5, HSDB 2085, SR-01000000141, EINECS 205-067-1, BRN 0192803, Cinchophen [INN:BAN:NF], Rheumatan, Alutyo, AI3-15400, Quinophen;, Atophan;, UNII-39Y533Z02M, Aciphenoquinoline;, Cinchophen (BAN), Cincain (TN), Cinchophen (Standard), 2-Phenylquinoline acid, CINCHOPHEN [MI], Opera_ID_819, N-Cyclohexyl-2-phenyl-4-chinolincarboxamid, CINCHOPHEN [INN], CINCHOPHEN [HSDB], Cambridge id 5117240, CINCHOPHEN [MART.], TimTec1_001239, CINCHOPHEN [WHO-DD], Oprea1_652483, SCHEMBL25519, 5-22-03-00484 (Beilstein Handbook Reference), MLS000069591, MLS001074296, orb1310595, SCHEMBL29376617, HY-B0972R, NSC2617, CHEBI:114195, HMS1537I07, HMS2236H09, HMS3264N13, HMS3369G13, HMS3652D09, HMS5082J08, Pharmakon1600-01504508, ALBB-035149, HY-B0972, MSK11308, NSC70178, Tox21_110841, Tox21_400022, BBL011719, BDBM50097100, CCG-34161, EBC-03816, NSC-70178, NSC758887, SBB000885, STK076256, 2-phenyl-4-quinoline-carboxylic acid, 2-Phenylquinolinecarboxylic acid-(4), AKOS000264299, Tox21_110841_1, CS-4461, DB13551, FP44219, NSC-758887, SB18446, NCGC00018221-01, NCGC00018221-02, NCGC00018221-03, NCGC00018221-04, NCGC00018221-05, NCGC00018221-07, NCGC00018221-09, NCGC00018221-10, NCGC00018221-13, NCGC00021229-04, NCGC00021229-05, NCGC00021229-06, AS-56238, ST013890, SY048847, 2-Phenyl-4-quinolinecarboxylic acid, 99%, SBI-0207075.P001, DB-000656, EU-0096447, NS00024224, P1301, SW089640-2, T0456, EN300-16799, D07280, D92104, AB00275103-10, AB00275103-16, AB00275103_18, AB00275103_19, AE-641/00678051, F787604, Q5120196, SR-01000000141-2, SR-01000000141-4, BRD-K72915123-001-01-7, BRD-K72915123-001-11-6, BRD-K72915123-001-17-3, BRD-K72915123-001-18-1, Z56782585, F0391-0013
Theoretical properties:
molecular_formula: C16H11NO2
molecular_weight: 249.26 g/mol
exact_mass: 249.078978594 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 2
heavy_atom_count: 19
topological_polar_surface_area: 50.2 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: NEEDLES FROM METHANOL OR DILUTED ALCOHOL
color: NEEDLES FROM METHANOL OR DILUTED ALCOHOL
odor: ODORLESS
melting_point: 218 °C
solubility: RAPIDLY LOSES WATER OF CRYSTALLIZATION ON EXPOSURE TO AIR; SOL IN WATER, ALC; PRACTICALLY INSOL IN ETHER /LITHIUM SALT OCTAHYDRATE/
Descriptions:
pubchem: 2-phenyl-4-quinolinecarboxylic acid is a member of quinolines.
chembl: CINCHOPHEN is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: Cinchophen (trade names Atophan, Quinophan, and Phenaquin) is an analgesic drug that was first produced by Doebner & Gieskel in 1887, it was commercially introduced in 1908 as a treatment for gout. This drug is still used, in combination with Prednisolone, by veterinarians to treat arthritis in animals. It can be prepared starting from anilin, benzaldehyde and pyruvic acid in absolute ethanol. Use of this drug in humans ceased in the 1930s due to the discovery that cinchophen can cause serious liver damage. There is some evidence that it stimulates C-Fos.