Cinchocaine hydrochlorideProduct ingredient for Cinchocaine

Name
Cinchocaine hydrochloride
Drug Entry
Cinchocaine

A local anesthetic of the amide type now generally used for surface anesthesia. It is one of the most potent and toxic of the long-acting local anesthetics and its parenteral use is restricted to spinal anesthesia. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1006)

Accession Number
DBSALT000639  (DBSALT001401)
Structure
Thumb
Synonyms
Cinchocaine HCl / Dibucaine HCl / Dibucaine hydrochloride
UNII
Z97702A5DG
CAS Number
61-12-1
Weight
Average: 379.924
Monoisotopic: 379.202654926
Chemical Formula
C20H30ClN3O2
InChI Key
IVHBBMHQKZBJEU-UHFFFAOYSA-N
InChI
InChI=1S/C20H29N3O2.ClH/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);1H
IUPAC Name
2-butoxy-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide hydrochloride
SMILES
Cl.CCCCOC1=NC2=CC=CC=C2C(=C1)C(=O)NCCN(CC)CC
PubChem Compound
6078
ChemSpider
5853
ChEBI
59735
ChEMBL
CHEMBL1200612
Wikipedia
Cinchocaine
Predicted Properties
PropertyValueSource
Water Solubility0.0389 mg/mLALOGPS
logP3.79ALOGPS
logP3.7ChemAxon
logS-4ALOGPS
pKa (Strongest Acidic)14.57ChemAxon
pKa (Strongest Basic)9.04ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area54.46 Å2ChemAxon
Rotatable Bond Count10ChemAxon
Refractivity102.12 m3·mol-1ChemAxon
Polarizability40.78 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon