Compound: oxatomide
SMILES: O=c1n(c2ccccc2[nH]1)CCCN3CCN(C(c4ccccc4)c5ccccc5)CC3
InChIKey: BAINIUMDFURPJM-UHFFFAOYSA-N
Synonyms: oxatomide, 60607-34-3, Tinset, Celtect, Oxatimide, Oxatomida, Oxatomidum, KW-4354, Cobiona, Dasten, R-35443, 1-[3-[4-(Diphenylmethyl)-1-piperazinyl]propyl]-1,3-dihydro-2H-benzimidazol-2-one, DTXSID4045181, R 35,443, J31IL9Z2EE, NSC-309710, 1-(3-(4-(Diphenylmethyl)-1-piperazinyl)propyl)-1,3-dihydro-2H-benzimidazol-2-one, 1-(3-(4-(Diphenylmethyl)-1-piperazinyl)propyl)-2-benzimidazolinone, DTXCID2025181, CHEBI:31943, 1-[3-[4-(Diphenylmethyl)-1-piperazinyl]propyl]-2-benzimidazolinone, 2H-Benzimidazol-2-one, 1-(3-(4-(diphenylmethyl)-1-piperazinyl)propyl)-1,3-dihydro-, 1-{3-[4-(diphenylmethyl)piperazin-1-yl]propyl}-2,3-dihydro-1H-1,3-benzodiazol-2-one, R35443, 1-(3-(4-(diphenylmethyl)piperazin-1-yl)propyl)-2,3-dihydro-1H-1,3-benzodiazol-2-one, 1-{3-[4-(diphenylmethyl)-1-piperazinyl]propyl}-1,3-dihydro-2H-benzimidazol-2-one, RefChem:857075, R06AE06, 262-320-9, 3-[3-(4-benzhydrylpiperazin-1-yl)propyl]-1H-benzimidazol-2-one, C27H30N4O, 1-(3-(4-Benzhydrylpiperazin-1-yl)propyl)-1H-benzo[d]imidazol-2(3H)-one, 1-(3-(4-Benzhydrylpiperazin-1-yl)propyl)-1,3-dihydro-2H-benzo[d]imidazol-2-one, MFCD00211147, MLS000028549, NCGC00015774-03, SMR000058301, Oxatomidum [INN-Latin], Oxatomida [INN-Spanish], McN-JR 35443, R 35443, Celtect (TN), CAS-60607-34-3, EINECS 262-320-9, CBMicro_024634, UNII-J31IL9Z2EE, BRN 4724760, Oxatomide (JAN/USAN/INN), Truxa, Oxatimide;, Cenacert;, Fensedyl;, Tinset;, Oxatomide [USAN:INN:BAN:JAN], Oxatomide (Standard), Oxatomide, >=99%, OXATOMIDE [INN], OXATOMIDE [JAN], OXATOMIDE [MI], OXATOMIDE [USAN], Lopac-O-9387, OXATOMIDE [MART.], O 9387, cid_4615, OXATOMIDE [WHO-DD], Lopac0_000924, Oprea1_338592, REGID_for_CID_4615, SCHEMBL28824, CHEMBL13828, orb1705947, SCHEMBL29484467, BDBM76863, GLXC-07634, HMS2089N07, HMS2231H12, HMS3372K08, Tox21_110219, CCG-11811, EBC-27056, MSK158965, NSC309710, NSC771641, AKOS000507212, Tox21_110219_1, AB04841, DB12877, FO26615, HY-123205R, KS-1375, NSC 309710, NSC-771641, 2H-Benzimidazol-2-one, 1,3-dihydro-1-(3-(4-(diphenylmethyl)-1-piperazinyl)propyl)-, NCGC00015774-01, NCGC00015774-02, NCGC00015774-04, NCGC00015774-05, NCGC00015774-06, NCGC00094235-01, NCGC00094235-02, SY337715, BIM-0024581.P001, DB-053668, HY-123205, CS-0081837, EU-0100924, NS00004457, ST50253168, D01773, F97990, SBI-0024581.0001, AB01227629-02, AE-641/00600058, EN300-25890425, SR-01000076051, Q2071515, SR-01000076051-1, BRD-K02079473-001-01-3, 3-[3-(4-benzhydrylpiperazino)propyl]-1H-benzimidazol-2-one, 1-[3-(4-Benzhydryl-1-piperazinyl)propyl]-1H-benzo[d]imidazol-2(3H)-one, 1-{3-[4-(diphenylmethyl)piperazinyl]propyl}-3-hydrobenzimidazol-2-one, 3-[3-[4-(diphenylmethyl)-1-piperazinyl]propyl]-1H-benzimidazol-2-one, 3-[3-[4-(diphenylmethyl)piperazin-1-yl]propyl]-1H-benzimidazol-2-one, 1-{3-[4-(diphenylmethyl)-1-piperazinyl}-propyl}-1,3-dihydro-2H-benzimidazol-2-one, 1-{3-[4-(Diphenylmethyl)piperazin-1-yl]propyl}-1,3-dihydro-2H-1,3-benzimidazol-2-one, 1{-[4-(diphenylmethyl)-1-piperzinyl]propyl}-1,3-dihydro-2H-benzimidazol-2-one
Theoretical properties:
molecular_formula: C27H30N4O
molecular_weight: 426.6 g/mol
exact_mass: 426.24196159 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 7
heavy_atom_count: 32
topological_polar_surface_area: 38.8 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Oxatomide is a member of the class of benzimidazoles that is 1,3-dihydro-2H-benzimidazol-2-one substituted by a 3-[4-(diphenylmethyl)piperazin-1-yl]propyl group at position 1. It is an anti-allergic drug. It has a role as a geroprotector, a H1-receptor antagonist, a serotonergic antagonist, an anti-allergic agent and an anti-inflammatory agent. It is a member of benzimidazoles, a N-alkylpiperazine and a diarylmethane.
chebi: A member of the class of benzimidazoles that is 1,3-dihydro-2<em>H</em>-benzimidazol-2-one substituted by a 3-[4-(diphenylmethyl)piperazin-1-yl]propyl group at position 1. It is an anti-allergic drug.
chembl: OXATOMIDE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: Oxatomide, sold under the brand name Tinset among others, is a antihistamine of the diphenylmethylpiperazine family which is marketed in Europe, Japan, and a number of other countries. It was discovered at Janssen Pharmaceutica in 1975. Oxatomide lacks any anticholinergic effects. In addition to its H1 receptor antagonism, it also possesses antiserotonergic activity similarly to hydroxyzine. Oxatomide was also found to have antiviral activity against Venezuelan equine encephalitis  virus (VEEV). 
It was patented in 1976 and came into medical use in 1981.