benzquinamide   Click here for help

GtoPdb Ligand ID: 7124

Synonyms: P-2647 | Quantril®
Approved drug
benzquinamide is an approved drug
Compound class: Synthetic organic
Comment: Benzquinamide is a largely discontinued antiemetic drug.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 8
Topological polar surface area 68.31
Molecular weight 404.23
XLogP 1.69
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCN(C(=O)C1CN2CCc3c(C2CC1OC(=O)C)cc(c(c3)OC)OC)CC
Isomeric SMILES CCN(C(=O)C1CN2CCc3c(C2CC1OC(=O)C)cc(c(c3)OC)OC)CC
InChI InChI=1S/C22H32N2O5/c1-6-23(7-2)22(26)17-13-24-9-8-15-10-20(27-4)21(28-5)11-16(15)18(24)12-19(17)29-14(3)25/h10-11,17-19H,6-9,12-13H2,1-5H3
InChI Key JSZILQVIPPROJI-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes
IUPAC Name Click here for help
3-(diethylcarbamoyl)-9,10-dimethoxy-1H,2H,3H,4H,6H,7H,11bH-pyrido[2,1-a]isoquinolin-2-yl acetate
International Nonproprietary Names Click here for help
INN number INN
1402 benzquinamide
Synonyms Click here for help
P-2647 | Quantril®
Database Links Click here for help
CAS Registry No. 63-12-7
ChEMBL Ligand CHEMBL1201250
DrugBank Ligand DB00767
DrugCentral Ligand 331
GtoPdb PubChem SID 178103701
PubChem CID 2342
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Wikipedia Benzquinamide