carphenazine   Click here for help

GtoPdb Ligand ID: 7140

Synonyms: Proketazine® | WY-2445
Approved drug
carphenazine is an approved drug
Compound class: Synthetic organic
Comment: Carphenazine is an antipsychotic drug. There is no information regarding approval for clinical use of this drug on the US FDA website. Other national approval agencies may have granted marketing authorisation. The Electronic Medicines Compendium (eMC) lists buclizine only as an active ingredient in a multi-component, anti-migraine treatment alongside paracetamol and codeine.
Marketed formulations may contain carphenazine maleate (PubChem CID 20838085).
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 72.32
Molecular weight 425.21
XLogP 3.37
No. Lipinski's rules broken 0
Click here for help
Canonical SMILES OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(=O)CC
Isomeric SMILES OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(=O)CC
InChI InChI=1S/C24H31N3O2S/c1-2-22(29)19-8-9-24-21(18-19)27(20-6-3-4-7-23(20)30-24)11-5-10-25-12-14-26(15-13-25)16-17-28/h3-4,6-9,18,28H,2,5,10-17H2,1H3
Download 2D Structure Click here for help
Canonical SMILES Download
Isomeric SMILES Download
InChI standard identifier Download
InChI standard key Download

Molecular structure representations generated using Open Babel