alizapride   Click here for help

GtoPdb Ligand ID: 11141

Synonyms: Limican® | Litican® | Nausilex® | Plitican® | Superan® | Vergentan®
Approved drug
alizapride is an approved drug
Compound class: Synthetic organic
Comment: Dopamine D2 receptor antagonist with prokinetic and antiemetic effects which can also be used in the treatment of nausea and vomiting, including postoperative nausea and vomiting. The WHO INN record for alizapride provides the CAS registry number 59338-93-1. This CAS number maps to PubChem CID 135413504 (vergentan), which is a tautomer of alizapride.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 83.14
Molecular weight 315.17
XLogP 1.53
No. Lipinski's rules broken 0
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Canonical SMILES C=CCN1CCCC1CNC(=O)c1cc2[nH]nnc2cc1OC
Isomeric SMILES C=CCN1CCCC1CNC(=O)c1cc2[nH]nnc2cc1OC
InChI InChI=1S/C16H21N5O2/c1-3-6-21-7-4-5-11(21)10-17-16(22)12-8-13-14(19-20-18-13)9-15(12)23-2/h3,8-9,11H,1,4-7,10H2,2H3,(H,17,22)(H,18,19,20)