dibucaine   Click here for help

GtoPdb Ligand ID: 7159

Synonyms: Cincain ® | cincaine chloride | Nupercaine ®
Approved drug
dibucaine is an approved drug
Compound class: Synthetic organic
Comment: Marketed formulations may contain dibucaine hydrochloride (PubChem CID 521951).
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 10
Topological polar surface area 57.95
Molecular weight 343.23
XLogP 4.64
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCCCOc1nc2ccccc2c(c1)C(=NCCN(CC)CC)O
Isomeric SMILES CCCCOc1nc2ccccc2c(c1)C(=NCCN(CC)CC)O
InChI InChI=1S/C20H29N3O2/c1-4-7-14-25-19-15-17(16-10-8-9-11-18(16)22-19)20(24)21-12-13-23(5-2)6-3/h8-11,15H,4-7,12-14H2,1-3H3,(H,21,24)
InChI Key PUFQVTATUTYEAL-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes
IUPAC Name Click here for help
2-butoxy-N-[2-(diethylamino)ethyl]quinoline-4-carboximidic acid
International Nonproprietary Names Click here for help
INN number INN
108 cinchocaine
Synonyms Click here for help
Cincain ® | cincaine chloride | Nupercaine ®
Database Links Click here for help
CAS Registry No. 85-79-0
ChEMBL Ligand CHEMBL1086
DrugBank Ligand DB00527
DrugCentral Ligand 859
GtoPdb PubChem SID 178103734
PubChem CID 3025
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Wikipedia Dibucaine