QUININE DIHYDROCHLORIDE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 8C3EMH7D9X

Structure
InChI Key NNKXWRRDHYTHFP-HZQSTTLBSA-N
Smile C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12.Cl.Cl
InChI
InChI=1S/C20H24N2O2.2ClH/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;2*1H/t13-,14-,19-,20+;;/m0../s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H26Cl2N2O2
Molecular Weight 397.35
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

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2146088
FDA SRS 8C3EMH7D9X
PubChem 91429
SureChEMBL SCHEMBL412849
CONTENTS