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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H24N2O2.ClH.2H2O
Molecular Weight 396.908
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of QUININE HYDROCHLORIDE

SMILES

O.O.Cl.[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=MPQKYZPYCSTMEI-FLZPLBAKSA-N
InChI=1S/C20H24N2O2.ClH.2H2O/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;2*1H2/t13-,14-,19-,20+;;;/m0.../s1

HIDE SMILES / InChI
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 ClH
Molecular Weight 36.461
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 15:13:31 UTC 2023
Edited
by admin
on Fri Dec 15 15:13:31 UTC 2023
Record UNII
711S8Y0T33
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
QUININE HYDROCHLORIDE
EP   FCC   MART.   WHO-IP  
Common Name English
QUININE HYDROCHLORIDE DIHYDRATE
MART.   MI   USP-RS   WHO-DD  
Common Name English
QUININE HYDROCHLORIDE [FCC]
Common Name English
QUININI HYDROCHLORIDUM [WHO-IP LATIN]
Common Name English
(8.ALPHA.,9R)-6'-METHOXYCINCHONAN-9-OL HYDROCHLORIDE DIHYDRATE
Common Name English
QUININE HYDROCHLORIDE [EP MONOGRAPH]
Common Name English
QUININE MONOHYDROCHLORIDE
Common Name English
QUININE HYDROCHLORIDE DIHYDRATE [USP-RS]
Common Name English
CHININUM MURIATICUM
HPUS  
Common Name English
FEMA NO. 2976, DIHYDRATE-
Code English
QUININE HYDROCHLORIDE HYDRATE [JAN]
Common Name English
QUININE HCL
Common Name English
QUININE HYDROCHLORIDE DIHYDRATE [MART.]
Common Name English
QUININE HYDROCHLORIDE [MART.]
Common Name English
QUININE MONOHYDROCHLORIDE DIHYDRATE
Common Name English
QUININE HYDROCHLORIDE [WHO-IP]
Common Name English
QUININE HYDROCHLORIDE HYDRATE
JAN  
Common Name English
QUININE HYDROCHLORIDE DIHYDRATE [MI]
Common Name English
QUININE MONOHYDROCHLORIDE DIHYRATE
Common Name English
Quinine hydrochloride dihydrate [WHO-DD]
Common Name English
CHININUM MURIATICUM [HPUS]
Common Name English
Classification Tree Code System Code
JECFA EVALUATION QUININE HYDROCHLORIDE
Created by admin on Fri Dec 15 15:13:31 UTC 2023 , Edited by admin on Fri Dec 15 15:13:31 UTC 2023
CFR 21 CFR 310.547
Created by admin on Fri Dec 15 15:13:31 UTC 2023 , Edited by admin on Fri Dec 15 15:13:31 UTC 2023
Code System Code Type Description
RXCUI
9074
Created by admin on Fri Dec 15 15:13:31 UTC 2023 , Edited by admin on Fri Dec 15 15:13:31 UTC 2023
PRIMARY RxNorm
EVMPD
SUB15093MIG
Created by admin on Fri Dec 15 15:13:31 UTC 2023 , Edited by admin on Fri Dec 15 15:13:31 UTC 2023
PRIMARY
EPA CompTox
DTXSID2047694
Created by admin on Fri Dec 15 15:13:31 UTC 2023 , Edited by admin on Fri Dec 15 15:13:31 UTC 2023
PRIMARY
MERCK INDEX
m9447
Created by admin on Fri Dec 15 15:13:31 UTC 2023 , Edited by admin on Fri Dec 15 15:13:31 UTC 2023
PRIMARY Merck Index
DRUG BANK
DBSALT001044
Created by admin on Fri Dec 15 15:13:31 UTC 2023 , Edited by admin on Fri Dec 15 15:13:31 UTC 2023
PRIMARY
CAS
6119-47-7
Created by admin on Fri Dec 15 15:13:31 UTC 2023 , Edited by admin on Fri Dec 15 15:13:31 UTC 2023
PRIMARY
PUBCHEM
16211283
Created by admin on Fri Dec 15 15:13:31 UTC 2023 , Edited by admin on Fri Dec 15 15:13:31 UTC 2023
PRIMARY
FDA UNII
711S8Y0T33
Created by admin on Fri Dec 15 15:13:31 UTC 2023 , Edited by admin on Fri Dec 15 15:13:31 UTC 2023
PRIMARY
NCI_THESAURUS
C75269
Created by admin on Fri Dec 15 15:13:31 UTC 2023 , Edited by admin on Fri Dec 15 15:13:31 UTC 2023
PRIMARY
ChEMBL
CHEMBL170
Created by admin on Fri Dec 15 15:13:31 UTC 2023 , Edited by admin on Fri Dec 15 15:13:31 UTC 2023
PRIMARY
RS_ITEM_NUM
1596807
Created by admin on Fri Dec 15 15:13:31 UTC 2023 , Edited by admin on Fri Dec 15 15:13:31 UTC 2023
PRIMARY
DAILYMED
711S8Y0T33
Created by admin on Fri Dec 15 15:13:31 UTC 2023 , Edited by admin on Fri Dec 15 15:13:31 UTC 2023
PRIMARY
WHO INTERNATIONAL PHARMACOPEIA
QUININE HYDROCHLORIDE
Created by admin on Fri Dec 15 15:13:31 UTC 2023 , Edited by admin on Fri Dec 15 15:13:31 UTC 2023
PRIMARY Description: Silky, colourless crystals, often grouped in clusters; odourless. Solubility: Soluble in water; freely soluble in ethanol (~750 g/l) TS; very slightly soluble in ether R. Category: Antimalarial. Storage: Quinine hydrochloride should be kept in a well-closed container, protected from light. Additional information. Quinine hydrochloride has a very bitter taste. Definition: Quinine hydrochloride contains not less than 98.5% and not more than 101.0% of total alkaloids, calculated as C20H24N2O2,HCl and with reference to the dried substance.
SMS_ID
100000090455
Created by admin on Fri Dec 15 15:13:31 UTC 2023 , Edited by admin on Fri Dec 15 15:13:31 UTC 2023
PRIMARY
Related Record Type Details
Structure of QUININE
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Structure of QUININE HYDROCHLORIDE ANHYDROUS
ANHYDROUS->SOLVATE
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Structure of HYDROQUININE
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Structure of QUINIDINE
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
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Structure of CINCHONIDINE
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Related Record Type Details
Structure of QUININE
ACTIVE MOIETY
NIH
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