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Details

Stereochemistry ABSOLUTE
Molecular Formula 2C20H24N2O2.5H2O
Molecular Weight 738.9099
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of QUINIDINE HEMIPENTAHYDRATE

SMILES

O.O.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=FNLHOUVTTYMUSI-ZHKFODEYSA-N
InChI=1S/2C20H24N2O2.5H2O/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;;;;;/h2*3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;5*1H2/t2*13-,14-,19+,20-;;;;;/m00...../s1

HIDE SMILES / InChI

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

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:55:29 UTC 2023
Edited
by admin
on Sat Dec 16 09:55:29 UTC 2023
Record UNII
90J73DI333
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
QUINIDINE HEMIPENTAHYDRATE
MI  
Common Name English
QUINIDINE HEMIPENTAHYDRATE [MI]
Common Name English
QUINIDINE, HYDRATE (2:5)
Common Name English
QUINIDINE HEMIPENTAHYDRATE, (+)-
Systematic Name English
CINCHONAN-9-OL, 6'-METHOXY-, HYDRATE (2:5), (9S)-
Common Name English
Code System Code Type Description
PUBCHEM
72710693
Created by admin on Sat Dec 16 09:55:29 UTC 2023 , Edited by admin on Sat Dec 16 09:55:29 UTC 2023
PRIMARY
FDA UNII
90J73DI333
Created by admin on Sat Dec 16 09:55:29 UTC 2023 , Edited by admin on Sat Dec 16 09:55:29 UTC 2023
PRIMARY
CAS
6151-37-7
Created by admin on Sat Dec 16 09:55:29 UTC 2023 , Edited by admin on Sat Dec 16 09:55:29 UTC 2023
PRIMARY
MERCK INDEX
m9446
Created by admin on Sat Dec 16 09:55:29 UTC 2023 , Edited by admin on Sat Dec 16 09:55:29 UTC 2023
PRIMARY Merck Index
Related Record Type Details
ANHYDROUS->SOLVATE
Related Record Type Details
ACTIVE MOIETY