chempirical

Oxybuprocaine hydrochloride

C17H29ClN2O3CAS 5987-82-6344.88 g/mol

Open in Covalent MOL file
OOONH2NHCl
EsterEtherPrimary amineTertiary amine

Properties

Molecular formula
C17H29ClN2O3
Molar mass
344.88 g/mol
Exact mass
344.1867 Da
Melting point
155 °C
logP
3.37Crippen estimate
Polar surface area
64.8 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
10

Identifiers

CAS number
5987-82-6
SMILES
CCCCOc1cc(C(=O)OCCN(CC)CC)ccc1N.Cl
InChIKey
PRGUDWLMFLCODA-UHFFFAOYSA-N
InChI
InChI=1S/C17H28N2O3.ClH/c1-4-7-11-21-16-13-14(8-9-15(16)18)17(20)22-12-10-19(5-2)6-3;/h8-9,13H,4-7,10-12,18H2,1-3H3;1H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

15 names · show all
  • Boxinate
  • Benzoic acid, 4-amino-3-butoxy-, 2-(diethylamino)ethyl ester, hydrochloride (1:1)
  • Conjuncain
  • Lacrimin
  • Minims
  • Benoxil
  • Cebesine
  • Benzoic acid, 4-amino-3-butoxy-, 2-(diethylamino)ethyl ester, monohydrochloride
  • 2-(Diethylamino)ethyl 4-amino-3-butoxybenzoate hydrochloride
  • Dorsacaine hydrochloride
  • Benoxinate hydrochloride
  • Novesine
  • Novesin
  • Dorsacaine
  • Conjucaine

Work with Oxybuprocaine hydrochloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Proparacaine hydrochloride5875-06-975 % similar Procaine hydrochloride51-05-859 % similar Procaine59-46-154 % similar 8-(N,N-Diethylamino)octyl 3,4,5-trimethoxybenzoate hydrochloride53464-72-550 % similar Chloroprocaine hydrochloride3858-89-748 % similar Hexadecyl 3-amino-4-chlorobenzoate143269-74-346 % similar Dodecyl 3-amino-4-chlorobenzoate6195-20-646 % similar Butyl 4-aminobenzoate94-25-745 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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