QUININE BISULFATE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: M201HC068W

Structure
InChI Key AMEXZRFCGITZNZ-HZQSTTLBSA-N
Smile C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12.O=S(=O)(O)O.O=S(=O)(O)O
InChI
InChI=1S/C20H24N2O2.2H2O4S/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;2*1-5(2,3)4/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;2*(H2,1,2,3,4)/t13-,14-,19-,20+;;/m0../s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H28N2O10S2
Molecular Weight 520.58
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 CHEMBL2146083
FDA SRS M201HC068W
PubChem 11949689
SureChEMBL SCHEMBL3115352
CONTENTS