chempirical

Quinacrine dihydrochloride dihydrate

C23H36Cl3N3O3CAS 6151-30-0508.91 g/mol

Open in Covalent MOL file
NNClNHOHClHClH2OH2O
Aryl halideEtherTertiary amine

Properties

Molecular formula
C23H36Cl3N3O3
Molar mass
508.91 g/mol
Exact mass
507.1822 Da
logP
4.59Crippen estimate
Polar surface area
103.6 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
8

Identifiers

CAS number
6151-30-0
SMILES
CCN(CC)CCCC(C)N=c1c2ccc(Cl)cc2[nH]c2ccc(OC)cc12.Cl.Cl.O.O
InChIKey
RZFNKJVCPDLQQA-UHFFFAOYSA-N
InChI
InChI=1S/C23H30ClN3O.2ClH.2H2O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23;;;;/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26);2*1H;2*1H2

Weigh it out

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

Names and synonyms

7 names
  • 1,4-Pentanediamine, N4-(6-chloro-2-methoxy-9-acridinyl)-N1,N1-diethyl-, hydrochloride, hydrate (1:2:2)
  • Acridine, 6-chloro-9-[[4-(diethylamino)-1-methylbutyl]amino]-2-methoxy-, dihydrochloride, dihydrate
  • 1,4-Pentanediamine, N4-(6-chloro-2-methoxy-9-acridinyl)-N1,N1-diethyl-, dihydrochloride, dihydrate
  • Atabrine hydrochloride dihydrate
  • 3-Chloro-7-methoxy-9-[[1-methyl-4-(diethylamino)butyl]amino]acridine dihydrochloride dihydrate
  • Mepacrine hydrochloride dihydrate
  • Quinacrine hydrochloride dihydrate

Work with Quinacrine dihydrochloride dihydrate

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

Quinacrine dihydrochloride69-05-695 % similar Pyronaridine74847-35-138 % similar Chloroquine54-05-735 % similar 3H-Pyrido[3,4-B]indole, 4,9-dihydro-7-methoxy-1-methyl-, hydrochloride, hydrate (1:1:2)6027-98-134 % similar Chloroquine sulfate132-73-031 % similar (±)-Chloroquine diphosphate50-63-531 % similar Hydroxychloroquine118-42-331 % similar Metoclopramide monohydrochloride monohydrate54143-57-630 % similar

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

Elsewhere

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