Compound: Deptropine
SMILES: O(C1c2c(cccc2)CCc3c1cccc3)[C@@H]4C[C@H]5N(C)[C@@H](C4)CC5
InChIKey: ZWPODSUQWXAZNC-PMOLBWCYSA-N
Synonyms: Deptropine, Dibenzheptropine, Deptropina, Deptropinum, 604-51-3, AY31301GKG, 3-(10,11-Dihydro-5H-dibenzo(a,d)cyclohepten-5-yloxy)tropane, (1R,5S)-8-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)-8-azabicyclo[3.2.1]octane, endo-3-[(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)oxy]-1alphaH,5alphaH-tropane, (3-endo)-3-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yloxy)-8-methyl-8-azabicyclo[3.2.1]octane, 8-Azabicyclo(3.2.1)octane, 3-((10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)oxy)-8-methyl-, (3-endo)-, endo-3-[(10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)oxy]-8-methyl-8-azabicyclo[3.2.1]octane, DEPTROPINE [INN], Deptropine [INN:BAN], 8-Azabicyclo(3.2.1)octane, 3-((10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)oxy)-8-methyl-, endo-, Deptropinum [INN-Latin], Deptropina [INN-Spanish], UNII-AY31301GKG, ENDO-3-((10,11-DIHYDRO-5H-DIBENZO(A,D)CYCLOHEPTEN-5-YL)OXY)-8-METHYL-8-AZABICYCLO(3.2.1)OCTANE, EINECS 210-069-0, DEPTROPINE [MI], DEPTROPINE [WHO-DD], SCHEMBL28710, CHEMBL1622878, CHEMBL1946186, DTXSID5048556, SCHEMBL30489355, BDBM79210, CHEBI:50189, CHEBI:94419, cid_6604492, Deptropine Citrate EP Impurity B, ZWPODSUQWXAZNC-YOFSQIOKSA-N, BDBM50419751, Tropane, 3alpha-((10,11-dihydro-5H-dibenzo(a,d)cyclohepen-5-yl)oxy)-, DB13466, 1alphaH,5alphaH-Tropane, 3alpha-((10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)oxy)-, NS00034356, Q5260984, BRD-A65797496-048-09-3, Q27166277, 3.ALPHA.-((10,11-DIHYDRO-5H-DIBENZO(A,D)CYCLOHEPTEN-5-YL)OXY)TROPANE, TROPANE, 3.ALPHA.-((10,11-DIHYDRO-5H-DIBENZO(A,D)CYCLOHEPTEN-5-YL)OXY)-, (1R,3r,5S)-3-[(10,11-Dihydro-5H-dibenzo[a,d][7]annulen-5-yl)oxy]-8-methyl-8-azabicyclo[3.2.1]octane, (1R,3s,5S)-3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen- 5-yloxy)-8-methyl-8-azabicyclo[3.2.1]octane (pseudodeptropine), (1S,5R)-3-(6,11-dihydro-5H-dibenzo[1,2-a:1'',2''-e][7]annulen-11-yloxy)-8-methyl-8-azabicyclo[3.2.1]octane;2-hydroxypropane-1,2,3-tricarboxylic acid, (1S,5R)-3-(6,11-dihydro-5H-dibenzo[1,2-a:1'',2''-e][7]annulen-11-yloxy)-8-methyl-8-azabicyclo[3.2.1]octane;2-oxidanylpropane-1,2,3-tricarboxylic acid, (1S,5R)-3-(6,11-dihydro-5H-dibenzo[1,2-a:1',2'-e][7]annulen-11-yloxy)-8-methyl-8-azabicyclo[3.2.1]octane, 1.ALPHA.H,5.ALPHA.H-TROPANE, 3.ALPHA.-((10,11-DIHYDRO-5H-DIBENZO(A,D)CYCLOHEPTEN-5-YL)OXY)-, 3.ALPHA.-((10,11-DIHYDRO-5H-DIBENZO(A,D)CYCLOHEPTEN-5-YL)OXY)-1.ALPHA.H,5.ALPHA.H-TROPANE, citric acid;(1S,5R)-3-(6,11-dihydro-5H-dibenzo[1,2-a:1'',2''-e]cyclohepten-11-yloxy)-8-methyl-8-azabicyclo[3.2.1]octane
Theoretical properties:
molecular_formula: C23H27NO
molecular_weight: 333.5 g/mol
exact_mass: 333.209264485 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 2
heavy_atom_count: 25
topological_polar_surface_area: 12.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Deptropine is an azabicycloalkane that is the 10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yl ether of tropine. It has a role as a H1-receptor antagonist, a muscarinic antagonist and a parasympatholytic. It is an ether and an azabicycloalkane. It is functionally related to a tropine.
chebi: An azabicycloalkane that is the 10,11-dihydro-5<em>H</em>-dibenzo[<em>a</em>,<em>d</em>]cyclohepten-5-yl ether of tropine.
chembl: DEPTROPINE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: Deptropine (Brontina) also known as dibenzheptropine, is an antihistamine with anticholinergic properties acting at the H1 receptor. It is usually marketed as the citrate salt.