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Details

Stereochemistry ABSOLUTE
Molecular Formula 2C19H22N2O.2H2O.H2O4S
Molecular Weight 722.891
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CINCHONINE SULFATE DIHYDRATE

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=CC=CC4=NC=C3.[H][C@@]5(C[C@@H]6CC[N@]5C[C@@H]6C=C)[C@@H](O)C7=C8C=CC=CC8=NC=C7

InChI

InChIKey=LPXYGFYEGUEAQG-KKDFKURBSA-N
InChI=1S/2C19H22N2O.H2O4S.2H2O/c2*1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17;1-5(2,3)4;;/h2*2-7,9,13-14,18-19,22H,1,8,10-12H2;(H2,1,2,3,4);2*1H2/t2*13-,14-,18+,19-;;;/m00.../s1

HIDE SMILES / InChI

Approval Year

Name Type Language
CINCHONINE SULFATE DIHYDRATE
MI  
Common Name English
CINCHONAN-9-OL, (9S)-, SULFATE (2:1) (SALT), DIHYDRATE
Common Name English
CINCHONAN-9-OL, (9S)-, SULPHATE (2:1) (SALT), DIHYDRATE
Common Name English
CINCHONINE SULPHATE DIHYDRATE
Common Name English
CINCHONINE SULFATE DIHYDRATE [MI]
Common Name English
Code System Code Type Description
PUBCHEM
76968827
Created by admin on Fri Dec 15 16:42:14 UTC 2023 , Edited by admin on Fri Dec 15 16:42:14 UTC 2023
PRIMARY
FDA UNII
8V7A43GW58
Created by admin on Fri Dec 15 16:42:14 UTC 2023 , Edited by admin on Fri Dec 15 16:42:14 UTC 2023
PRIMARY
MERCK INDEX
m3560
Created by admin on Fri Dec 15 16:42:14 UTC 2023 , Edited by admin on Fri Dec 15 16:42:14 UTC 2023
PRIMARY Merck Index
CAS
5949-17-7
Created by admin on Fri Dec 15 16:42:14 UTC 2023 , Edited by admin on Fri Dec 15 16:42:14 UTC 2023
PRIMARY