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Details

Stereochemistry ABSOLUTE
Molecular Formula 2C20H24N2O2.2H2O.H2O4S
Molecular Weight 782.943
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of QUININE SULFATE

SMILES

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.[H][C@]5(C[C@@H]6CC[N@]5C[C@@H]6C=C)[C@H](O)C7=C8C=C(OC)C=CC8=NC=C7

InChI

InChIKey=ZHNFLHYOFXQIOW-LPYZJUEESA-N
InChI=1S/2C20H24N2O2.H2O4S.2H2O/c2*1-3-13-12-22-9-7-14(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;;/h2*3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;(H2,1,2,3,4);2*1H2/t2*13-,14-,19-,20+;;;/m00.../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 C20H24N2O2
Molecular Weight 324.4168
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED
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

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:19:30 UTC 2023
Edited
by admin
on Fri Dec 15 15:19:30 UTC 2023
Record UNII
KF7Z0E0Q2B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
QUININE SULFATE
EP   FCC   FHFI   MART.   ORANGE BOOK   USP   VANDF   WHO-DD  
Common Name English
QUININE SULFATE HYDRATE
JAN  
Common Name English
QUININE SULFATE DIHYDRATE [MART.]
Common Name English
QUININE SULFATE [VANDF]
Common Name English
FEMA NO. 2977
Code English
QUININE SULPHATE [WHO-IP]
Common Name English
GLS 1200 [WHO-DD]
Common Name English
CHININUM SULPHURICUM
HPUS  
Common Name English
QUININE SULFATE [FHFI]
Common Name English
QUININE SULFATE [FCC]
Common Name English
Quinine sulfate (2:1) (salt) dihydrate
Systematic Name English
GLS-1200
Code English
QUININE SULFATE [MART.]
Common Name English
QUININE SULPHATE
Common Name English
NSC-757298
Code English
QUINATE
Brand Name English
QUININE SULFATE [EP MONOGRAPH]
Common Name English
QUININE SULFATE [USP-RS]
Common Name English
QUININE SULFATE DIHYDRATE [MI]
Common Name English
QUININE SULFATE HYDRATE [JAN]
Common Name English
QUININE SULFATE [USP IMPURITY]
Common Name English
CINCHONAN-9-OL, 6'-METHOXY-, (8.ALPHA.,9R)-, SULFATE, HYDRATE (2:1:2)
Common Name English
CHININUM SULPHURICUM [HPUS]
Common Name English
QUININE SULFATE DIHYDRATE
MART.   MI  
Common Name English
QUINAMM
Brand Name English
QUININE SULFATE [USP MONOGRAPH]
Common Name English
GLS1200
Code English
QUININE SULFATE [ORANGE BOOK]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C271
Created by admin on Fri Dec 15 15:19:31 UTC 2023 , Edited by admin on Fri Dec 15 15:19:31 UTC 2023
CFR 21 CFR 310.547
Created by admin on Fri Dec 15 15:19:31 UTC 2023 , Edited by admin on Fri Dec 15 15:19:31 UTC 2023
CFR 21 CFR 310.546
Created by admin on Fri Dec 15 15:19:31 UTC 2023 , Edited by admin on Fri Dec 15 15:19:31 UTC 2023
JECFA EVALUATION QUININE SULFATE
Created by admin on Fri Dec 15 15:19:31 UTC 2023 , Edited by admin on Fri Dec 15 15:19:31 UTC 2023
FDA ORPHAN DRUG 272008
Created by admin on Fri Dec 15 15:19:31 UTC 2023 , Edited by admin on Fri Dec 15 15:19:31 UTC 2023
FDA ORPHAN DRUG 185004
Created by admin on Fri Dec 15 15:19:31 UTC 2023 , Edited by admin on Fri Dec 15 15:19:31 UTC 2023
Code System Code Type Description
DAILYMED
KF7Z0E0Q2B
Created by admin on Fri Dec 15 15:19:31 UTC 2023 , Edited by admin on Fri Dec 15 15:19:31 UTC 2023
PRIMARY
EVMPD
SUB33261
Created by admin on Fri Dec 15 15:19:31 UTC 2023 , Edited by admin on Fri Dec 15 15:19:31 UTC 2023
PRIMARY
CAS
6119-70-6
Created by admin on Fri Dec 15 15:19:31 UTC 2023 , Edited by admin on Fri Dec 15 15:19:31 UTC 2023
PRIMARY
RXCUI
9075
Created by admin on Fri Dec 15 15:19:31 UTC 2023 , Edited by admin on Fri Dec 15 15:19:31 UTC 2023
PRIMARY RxNorm
RS_ITEM_NUM
1597005
Created by admin on Fri Dec 15 15:19:31 UTC 2023 , Edited by admin on Fri Dec 15 15:19:31 UTC 2023
PRIMARY
PUBCHEM
16211610
Created by admin on Fri Dec 15 15:19:31 UTC 2023 , Edited by admin on Fri Dec 15 15:19:31 UTC 2023
PRIMARY
MERCK INDEX
m9447
Created by admin on Fri Dec 15 15:19:31 UTC 2023 , Edited by admin on Fri Dec 15 15:19:31 UTC 2023
PRIMARY Merck Index
NCI_THESAURUS
C29399
Created by admin on Fri Dec 15 15:19:31 UTC 2023 , Edited by admin on Fri Dec 15 15:19:31 UTC 2023
PRIMARY
FDA UNII
KF7Z0E0Q2B
Created by admin on Fri Dec 15 15:19:31 UTC 2023 , Edited by admin on Fri Dec 15 15:19:31 UTC 2023
PRIMARY
DRUG BANK
DBSALT000531
Created by admin on Fri Dec 15 15:19:31 UTC 2023 , Edited by admin on Fri Dec 15 15:19:31 UTC 2023
PRIMARY
EVMPD
SUB15095MIG
Created by admin on Fri Dec 15 15:19:31 UTC 2023 , Edited by admin on Fri Dec 15 15:19:31 UTC 2023
PRIMARY
ChEMBL
CHEMBL170
Created by admin on Fri Dec 15 15:19:31 UTC 2023 , Edited by admin on Fri Dec 15 15:19:31 UTC 2023
PRIMARY
RXCUI
1427233
Created by admin on Fri Dec 15 15:19:31 UTC 2023 , Edited by admin on Fri Dec 15 15:19:31 UTC 2023
ALTERNATIVE
CHEBI
29751
Created by admin on Fri Dec 15 15:19:31 UTC 2023 , Edited by admin on Fri Dec 15 15:19:31 UTC 2023
PRIMARY
NSC
757298
Created by admin on Fri Dec 15 15:19:31 UTC 2023 , Edited by admin on Fri Dec 15 15:19:31 UTC 2023
PRIMARY
Related Record Type Details
Structure of QUININE
PARENT -> SALT/SOLVATE
Structure of QUININE SULFATE ANHYDROUS
ANHYDROUS->SOLVATE
Related Record Type Details
Structure of HYDROQUININE
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
Ph.Eur.; USP
Structure of QUINIDINE
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
INTERNATIONAL PHARMACOPEIA
Structure of CINCHONIDINE
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
INTERNATIONAL PHARMACOPEIA
Structure of QUINIDINE
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of HYDROQUININE
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
INTERNATIONAL PHARMACOPEIA
Structure of CINCHONIDINE
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Related Record Type Details
Structure of QUININE
ACTIVE MOIETY
NIH
NCATS
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