Amodiaquine dihydrochloride dihydrate

C₂₀H₂₈Cl₃N₃O₃CAS 6398-98-7464.81 g/mol

Open in Covalent MOL file

Aryl halide Phenol Secondary amine Tertiary amine

Properties

Molecular formula: C₂₀H₂₈Cl₃N₃O₃
Molar mass: 464.81 g/mol
Exact mass: 463.1196 Da
logP: 4.37Crippen estimate
Polar surface area: 111.4 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 6

Hazards

Warning

H302 Harmful if swallowed100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number

6398-98-7

SMILES

CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O.Cl.Cl.O.O

InChIKey

YVNAYSHNIILOJS-UHFFFAOYSA-N

InChI

InChI=1S/C20H22ClN3O.2ClH.2H2O/c1-3-24(4-2)13-14-11-16(6-8-20(14)25)23-18-9-10-22-19-12-15(21)5-7-17(18)19;;;;/h5-12,25H,3-4,13H2,1-2H3,(H,22,23);2*1H;2*1H2

Weigh it out

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Names and synonyms

4 names

Phenol, 4-[(7-chloro-4-quinolinyl)amino]-2-[(diethylamino)methyl]-, hydrochloride, hydrate (1:2:2)
o-Cresol, 4-[(7-chloro-4-quinolyl)amino]-α-(diethylamino)-, dihydrochloride, dihydrate
Phenol, 4-[(7-chloro-4-quinolinyl)amino]-2-[(diethylamino)methyl]-, dihydrochloride, dihydrate
Amodiaquin dihydrochloride dihydrate

Work with Amodiaquine 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

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.

Amodiaquine hydrochloride69-44-3Anhydrous Amodiaquine86-42-0Free base

Similar compounds

Chloroquine54-05-747 % similar Hydroxychloroquine118-42-345 % similar Chloroquine sulfate132-73-044 % similar (±)-Chloroquine diphosphate50-63-544 % similar Hydroxychloroquine sulfate747-36-441 % similar 7-Chloro-4-hydrazinylquinoline23834-14-240 % similar (±)-Desethylchloroquine1476-52-438 % similar Naphthoquine phosphate173531-58-336 % similar

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

Elsewhere

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