CAS 61-12-1|2-Butoxy-N-(2-diethylaminoethyl)-4-quinolinecarboxamide hydrochloride|DIBUCAINE HYDROCHLORIDE|2-butoxy-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide hydrochloride|dibucaine hydrochlor...

General Information

Structure

Molecular Formula

C₂₀H₃₀ClN₃O₂

Molecular Mass

379.9241

Exact Mass

379.2026549

Charge

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

InChIKey

IVHBBMHQKZBJEU-UHFFFAOYSA-N

Canonic Smiles

CCCCOc1nc2ccccc2c(c1)C(=O)NCCN(CC)CC.Cl

Isomeric Smiles

Cl.CCCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1

Calculated Properties

JChem

Acid pKa

14.57441

H Acceptors

H Donor

LogD (pH = 5.5)

0.47672126

LogD (pH = 7.4)

2.0500696

Log P

3.6981626

Molar Refractivity

102.121

Polarizability

40.42192

Polar Surface Area

54.46

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

2-Butoxy-N-(2-diethylaminoethyl)-4-quinolinecarboxamide hydrochlorideDIBUCAINE HYDROCHLORIDE2-丁氧基-N-(2-二乙氨乙基)-4-喹啉甲酰胺盐酸盐狄布卡因盐酸盐Dibucaine hydrochlorideDibucaine (Cinchocaine) HClSovcainePercainCincaine ChlorideNupercaine HydrochloridePercaineBenzolin2-Butoxy-N-[2-(diethylamino)ethyl]-4-quinolinecarboxamide Hydrochloride2-Butoxy-N-(2-diethylaminoethyl)cinchoninamide HydrochloridePercamin SCincaineSovcain

IUPAC name

2-butoxy-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide hydrochloride

IUPAC Traditional name

dibucaine hydrochloride

Names and Identifiers

Registration numbers

CAS Number

61-12-1

EC Number

200-498-1

MDL Number

MFCD00012735