U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H24N2O2.7H2O.H2O4S
Molecular Weight 548.602
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of QUININE BISULFATE HEPTAHYDRATE

SMILES

O.O.O.O.O.O.O.OS(O)(=O)=O.[H][C@]1(C[C@@H]2CC[N@]1C[C@@H]2C=C)[C@H](O)C3=C4C=C(OC)C=CC4=NC=C3

InChI

InChIKey=MMZACAMEMISONC-RYXXBYBMSA-N
InChI=1S/C20H24N2O2.H2O4S.7H2O/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;1-5(2,3)4;;;;;;;/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;(H2,1,2,3,4);7*1H2/t13-,14-,19-,20+;;;;;;;;/m0......../s1

HIDE SMILES / InChI
Molecular Formula H2O4S
Molecular Weight 98.078
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE
Molecular Formula H2O
Molecular Weight 18.0153
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE
Molecular Formula C20H24N2O2
Molecular Weight 324.4168
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:13:01 UTC 2023
Edited
by admin
on Fri Dec 15 15:13:01 UTC 2023
Record UNII
GNS01V2R3N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
QUININE BISULFATE HEPTAHYDRATE
MI   WHO-DD  
Common Name English
Quinine bisulfate heptahydrate [WHO-DD]
Common Name English
CINCHONAN-9-OL, 6'-METHOXY-, (8.ALPHA.,9R)-, SULFATE, HYDRATE (1:1:7)
Systematic Name English
QUININI BISULFAS [WHO-IP LATIN]
Common Name English
QUININE BISULFATE [WHO-IP]
Common Name English
QUININE BISULPHATE HEPTAHYDRATE
Common Name English
CINCHONAN-9-OL, 6'-METHOXY-, (8.ALPHA.,9R)-, SULPHATE (1:1) (SALT), HEPTAHYDRATE
Common Name English
QUININE BISULFATE [MART.]
Common Name English
QUININE BISULFATE HEPTAHYDRATE [MI]
Common Name English
QUININE SULFATE (1:1) (SALT), HEPTAHYDRATE [WHO-IP]
Common Name English
CINCHONAN-9-OL, 6'-METHOXY-, (8.ALPHA.,9R)-, SULFATE (1:1) (SALT), HEPTAHYDRATE
Common Name English
BIQUINATE
Brand Name English
Classification Tree Code System Code
CFR 21 CFR 310.547
Created by admin on Fri Dec 15 15:13:01 UTC 2023 , Edited by admin on Fri Dec 15 15:13:01 UTC 2023
Code System Code Type Description
EPA CompTox
DTXSID00977400
Created by admin on Fri Dec 15 15:13:01 UTC 2023 , Edited by admin on Fri Dec 15 15:13:01 UTC 2023
PRIMARY
CAS
6183-68-2
Created by admin on Fri Dec 15 15:13:01 UTC 2023 , Edited by admin on Fri Dec 15 15:13:01 UTC 2023
PRIMARY
SMS_ID
100000137679
Created by admin on Fri Dec 15 15:13:01 UTC 2023 , Edited by admin on Fri Dec 15 15:13:01 UTC 2023
PRIMARY
MERCK INDEX
m9447
Created by admin on Fri Dec 15 15:13:01 UTC 2023 , Edited by admin on Fri Dec 15 15:13:01 UTC 2023
PRIMARY Merck Index
FDA UNII
GNS01V2R3N
Created by admin on Fri Dec 15 15:13:01 UTC 2023 , Edited by admin on Fri Dec 15 15:13:01 UTC 2023
PRIMARY
PUBCHEM
67123961
Created by admin on Fri Dec 15 15:13:01 UTC 2023 , Edited by admin on Fri Dec 15 15:13:01 UTC 2023
PRIMARY
EVMPD
SUB76232
Created by admin on Fri Dec 15 15:13:01 UTC 2023 , Edited by admin on Fri Dec 15 15:13:01 UTC 2023
PRIMARY
WHO INTERNATIONAL PHARMACOPEIA
QUININE BISULFATE HEPTAHYDRATE
Created by admin on Fri Dec 15 15:13:01 UTC 2023 , Edited by admin on Fri Dec 15 15:13:01 UTC 2023
PRIMARY Description: Colourless crystals or a white, crystalline powder; odourless.Solubility: Freely soluble in water; sparingly soluble in ethanol (~750 g/l) TS.Category: Antimalarial drug.Storage: Quinine bisulfate should be kept in a well-closed container, protected from light.Additional information: Quinine bisulfate effloresces in dry air. Even in the absence of light, it is gradually degraded on exposureto a humid atmosphere, the decomposition being faster at higher temperatures.Definition: Quinine bisulfate contains not less than 98.5% and not more than 101.5% of total alkaloids, calculated as C20H24N2O2,H2SO4 and with reference to the dried substance.
Related Record Type Details
Structure of QUININE BISULFATE
ANHYDROUS->SOLVATE
Structure of QUININE
PARENT -> SALT/SOLVATE
Related Record Type Details
Structure of CINCHONIDINE
IMPURITY -> PARENT
Not Specified
Structure of HYDROQUININE
IMPURITY -> PARENT
Not Specified
Structure of QUINIDINE
IMPURITY -> PARENT
Not Specified
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966