QUININE HYDROCHLORIDE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: Salt
UNII: 7CS0WNO31M
Parent Compound: QUININE

Structure
InChI Key LBSFSRMTJJPTCW-DSXUQNDKSA-N
Smile C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12.Cl
InChI
InChI=1S/C20H24N2O2.ClH/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;1H/t13-,14-,19-,20+;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H25ClN2O2
Molecular Weight 360.89
AlogP 3.17
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 45.59
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 24.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 16

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Obesity 1 D009765 ClinicalTrials

Related Entries

Scaffolds

Parent

Cross References

Resources Reference
ChEMBL CHEMBL588046
EPA CompTox DTXSID7044213
FDA SRS 7CS0WNO31M
PubChem 16211283
SureChEMBL SCHEMBL184367
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