Doxapram hydrochloride hydrate

C24H33ClN2O3CAS 7081-53-0432.99 g/mol

NNOOHClH2O
AmideEtherLactamTertiary amine

Properties

Molecular formula
C24H33ClN2O3
Molar mass
432.99 g/mol
Exact mass
432.2180 Da
Melting point
217–219 °C
logP
2.77Crippen estimate
Polar surface area
64.3 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
6

Identifiers

CAS number
7081-53-0
SMILES
CCN1CC(CCN2CCOCC2)C(c2ccccc2)(c2ccccc2)C1=O.Cl.O
InChIKey
ZOMBFZRWMLIDPX-UHFFFAOYSA-N
InChI
InChI=1S/C24H30N2O2.ClH.H2O/c1-2-26-19-22(13-14-25-15-17-28-18-16-25)24(23(26)27,20-9-5-3-6-10-20)21-11-7-4-8-12-21;;/h3-12,22H,2,13-19H2,1H3;1H;1H2

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Names and synonyms

7 names
  • 2-Pyrrolidinone, 1-ethyl-4-[2-(4-morpholinyl)ethyl]-3,3-diphenyl-, hydrochloride, hydrate (1:1:1)
  • 2-Pyrrolidinone, 1-ethyl-4-(2-morpholinoethyl)-3,3-diphenyl-, monohydrochloride, monohydrate
  • 2-Pyrrolidinone, 1-ethyl-4-[2-(4-morpholinyl)ethyl]-3,3-diphenyl-, monohydrochloride, monohydrate
  • AHR 619
  • 1-Ethyl-4-(2-morpholinoethyl)-3,3-diphenyl-2-pyrrolidinone hydrochloride hydrate
  • Doxapram hydrochloride monohydrate
  • 1-Ethyl-4-[2-(morpholin-4-yl)ethyl]-3,3-diphenylpyrrolidin-2-one hydrate hydrochloride

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Similar compounds

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

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