Quinacrine dihydrochloride

C23H32Cl3N3OCAS 69-05-6472.88 g/mol

Open in Covalent MOL file
NNClNHOHClHCl
Aryl halideEtherTertiary amine

Properties

Molecular formula
C23H32Cl3N3O
Molar mass
472.88 g/mol
Exact mass
471.1611 Da
Melting point
246–248 °C
Water solubility
10–50 g/L (17.8 °C)
logP
6.24Crippen estimate
Polar surface area
40.6 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
8

Hazards

Warning
Irritant (GHS07)

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
69-05-6
SMILES
CCN(CC)CCCC(C)N=c1c2ccc(Cl)cc2[nH]c2ccc(OC)cc12.Cl.Cl
InChIKey
UDKVBVICMUEIKS-UHFFFAOYSA-N
InChI
InChI=1S/C23H30ClN3O.2ClH/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

Weigh it out

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Names and synonyms

32 names · show all
  • 1,4-Pentanediamine, N4-(6-chloro-2-methoxy-9-acridinyl)-N1,N1-diethyl-, hydrochloride (1:2)
  • Acridine, 6-chloro-9-[[4-(diethylamino)-1-methylbutyl]amino]-2-methoxy-, dihydrochloride
  • 1,4-Pentanediamine, N4-(6-chloro-2-methoxy-9-acridinyl)-N1,N1-diethyl-, dihydrochloride
  • SN 390
  • 866RP
  • Atabrine hydrochloride
  • Chemiochin
  • Chinacrin hydrochloride
  • 3-Chloro-9-(4′-diethylamino-1′-methylbutylamino)-7-methoxyacridine dihydrochloride
  • 6-Chloro-9-[[4-(diethylamino)-1-methylbutyl]amino]-2-methoxyacridine dihydrochloride
  • 2-Chloro-5-(ω-diethylamino-α-methylbutylamino)-7-methoxyacridine dihydrochloride
  • 3-Chloro-7-methoxy-9-(1-methyl-4-diethylaminobutylamino)acridine dihydrochloride
  • Crinodora
  • Malaricida
  • Mecryl
  • Mepacrine dihydrochloride
  • Mepacrine hydrochloride
  • Methoquine
  • 2-Methoxy-6-chloro-9-(4-diethylamino-1-methylbutylamino)acridine dihydrochloride
  • Metochin
  • Metoquin
  • Metoquine
  • Palacrin
  • Palusan
  • Pentilen
  • Quinacrine hydrochloride
  • Erion
  • Atebrin
  • Atebrine
  • Atebrine hydrochloride
  • Acrichin dihydrochloride
  • NSC 14229

Work with Quinacrine dihydrochloride

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Quinacrine dihydrochloride dihydrate6151-30-0Hydrate

Similar compounds

Pyronaridine74847-35-139 % similar Chloroquine54-05-736 % similar 2-Methoxy-9H-carbazole6933-49-933 % similar Chloroquine sulfate132-73-033 % similar (±)-Chloroquine diphosphate50-63-533 % similar Hydroxychloroquine118-42-332 % similar Mexamine66-83-131 % similar 6,9-Dichloro-2-methoxyacridine86-38-431 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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