Bioactive Compound Details

BioIDbio4159
NameTROSPIUM CHLORIDE
ChEMBL IDCHEMBL3084748
Molecular FormulaC25H30ClNO3
Molecular Weight427.97
Molecular Weight (Monoisotopic)392.222
TypeSmall molecule
Max PhasePhase 4
Target IDTar21
Target NameInflammation pathogenesis (IP)
SynonymsCHLORURE DE TROSPIUM|CLORURO DE TROSPIO|FLOTROS|IP-631|IP631|REGURIN|REGURIN XL|RELASPIUM|SANCTURA|SANCTURA XR|SPASMEX|SPASMO-LYT|SPASMOLYT|TROSPIUM CHLORIDE|URAPLEX
SmilesO=C(O[C@H]1C[C@H]2CC[C@@H](C1)[N+]21CCCC1)C(O)(c1ccccc1)c1ccccc1.[Cl-]
InchiInChI=1S/C25H30NO3.ClH/c27-24(25(28,19-9-3-1-4-10-19)20-11-5-2-6-12-20)29-23-17-21-13-14-22(18-23)26(21)15-7-8-16-26;/h1-6,9-12,21-23,28H,7-8,13-18H2;1H/q+1;/p-1/t21-,22+,23+;
Inchi KeyRVCSYOQWLPPAOA-QKYUOBHYSA-M
Molecular SpeciesNEUTRAL
Targets10.0
Bioactivities26.0
Np Likeness Score0.25
Records Key['SID144205995', 'TROSPIUM CHLORIDE', 'TROSPIUM CHLORIDE', 'trospium chloride', 'TROSPIUM CHLORIDE', 'SID170464918', 'TROSPIUM CHLORIDE (SANCTURA)', 'Trospium chloride (Sanctura)', 'TROSPIUM CHLORIDE', 'Trospium Chloride', 'Trospium chloride (Sanctura)', 'Trospium Chloride']
Records Name['SID144205995', 'TROSPIUM CHLORIDE', 'TROSPIUM CHLORIDE', 'trospium chloride', 'TROSPIUM CHLORIDE', 'SID170464918', 'TROSPIUM CHLORIDE (SANCTURA)', 'Trospium chloride (Sanctura)', 'TROSPIUM CHLORIDE', 'Trospium Chloride', 'Trospium chloride (Sanctura)', 'Trospium Chloride']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure