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
Structure
Thumb
Synonyms
Cinchocaine HCl
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-carboximidic acid hydrochloride
SMILES
Cl.CCCCOC1=NC2=CC=CC=C2C(=C1)C(O)=NCCN(CC)CC
External Links
PubChem Compound
6078
ChemSpider
5853
ChEBI
59735
ChEMBL
CHEMBL1200612
Wikipedia
Cinchocaine
Predicted Properties
PropertyValueSource
Water Solubility0.0316 mg/mLALOGPS
logP4.07ALOGPS
logP2.89ChemAxon
logS-4ALOGPS
pKa (Strongest Acidic)7.52ChemAxon
pKa (Strongest Basic)9.56ChemAxon
Physiological Charge2ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area57.95 Å2ChemAxon
Rotatable Bond Count10ChemAxon
Refractivity102.64 m3·mol-1ChemAxon
Polarizability41.15 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon