chempirical

Hydroxychloroquine sulfate

C18H28ClN3O5SCAS 747-36-4433.95 g/mol

Open in Covalent MOL file
NOHHNNClOSOHOOH
AlcoholAryl halideSecondary amineTertiary amine

Properties

Molecular formula
C18H28ClN3O5S
Molar mass
433.95 g/mol
Exact mass
433.1438 Da
logP
3.13Crippen estimate
Polar surface area
123.0 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
9

Identifiers

CAS number
747-36-4
SMILES
CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12.O=S(=O)(O)O
InChIKey
JCBIVZZPXRZKTI-UHFFFAOYSA-N
InChI
InChI=1S/C18H26ClN3O.H2O4S/c1-3-22(11-12-23)10-4-5-14(2)21-17-8-9-20-18-13-15(19)6-7-16(17)18;1-5(2,3)4/h6-9,13-14,23H,3-5,10-12H2,1-2H3,(H,20,21);(H2,1,2,3,4)

Weigh it out

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

Names and synonyms

13 names · show all
  • Ethanol, 2-[[4-[(7-chloro-4-quinolinyl)amino]pentyl]ethylamino]-, sulfate (1:1)
  • Ethanol, 2-[[4-[(7-chloro-4-quinolyl)amino]pentyl]ethylamino]-, sulfate (1:1) (salt)
  • Ethanol, 2-[[4-[(7-chloro-4-quinolinyl)amino]pentyl]ethylamino]-, sulfate (1:1) (salt)
  • 7-Chloro-4-[4-N-ethyl-N-beta-hydroxyethylamino-1-methylbutylamino]quinoline sulfate
  • 7-Chloro-4-[4-[ethyl(2-hydroxyethyl)amino]-1-methylbutylamino]-quinoline sulfate
  • Plaquenil sulfate
  • Plaquenil
  • Quensyl
  • Ercoquin
  • NSC 4375
  • 2-([4-[(7-Chloroquinolin-4-yl)amino]pentyl](ethyl)amino)ethan-1-ol; sulfuric acid
  • 2-((4-((7-Chloro-4-quinolyl)amino)pentyl)ethylamino)ethanol sulfate
  • ZINC 01530654

Work with Hydroxychloroquine sulfate

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

Chloroquine sulfate132-73-089 % similar Hydroxychloroquine118-42-387 % similar Chloroquine54-05-774 % similar (±)-Chloroquine diphosphate50-63-570 % similar (±)-Desethylchloroquine1476-52-455 % similar Amodiaquine86-42-044 % similar Amodiaquine hydrochloride69-44-343 % similar Amodiaquine dihydrochloride dihydrate6398-98-741 % similar

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

Elsewhere

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