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Details

Stereochemistry ABSOLUTE
Molecular Formula 2C19H22N2O.H2O4S
Molecular Weight 686.86
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CINCHONIDINE SULFATE

SMILES

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=WBBHOISPYYYBTC-IDJJGHEZSA-N
InChI=1S/2C19H22N2O.H2O4S/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)/t2*13-,14-,18-,19+;/m00./s1

HIDE SMILES / InChI

Molecular Formula C19H22N2O
Molecular Weight 294.3908
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

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

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:00:29 UTC 2023
Edited
by admin
on Fri Dec 15 15:00:29 UTC 2023
Record UNII
5JT77A1M4W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CINCHONIDINE SULFATE
WHO-DD  
Common Name English
Cinchonidine sulfate [WHO-DD]
Common Name English
CINCHONIDINE, SULFATE (2:1) (SALT)
Common Name English
TCMDC-123934
Code English
CINCHONIDINE SULPHATE ANHYDROUS
Common Name English
CINCHONAN-9-OL, (8.ALPHA.,9R), SULFATE (2:1) (SALT)
Common Name English
CINCHONIDINE SULFATE ANHYDROUS
Common Name English
CINCHONIDINE SULFATE, ANHYDROUS
Common Name English
Code System Code Type Description
CAS
524-61-8
Created by admin on Fri Dec 15 15:00:29 UTC 2023 , Edited by admin on Fri Dec 15 15:00:29 UTC 2023
PRIMARY
SMS_ID
100000183627
Created by admin on Fri Dec 15 15:00:29 UTC 2023 , Edited by admin on Fri Dec 15 15:00:29 UTC 2023
PRIMARY
ChEMBL
CHEMBL533841
Created by admin on Fri Dec 15 15:00:29 UTC 2023 , Edited by admin on Fri Dec 15 15:00:29 UTC 2023
PRIMARY
PUBCHEM
57383488
Created by admin on Fri Dec 15 15:00:29 UTC 2023 , Edited by admin on Fri Dec 15 15:00:29 UTC 2023
PRIMARY
FDA UNII
5JT77A1M4W
Created by admin on Fri Dec 15 15:00:29 UTC 2023 , Edited by admin on Fri Dec 15 15:00:29 UTC 2023
PRIMARY
ECHA (EC/EINECS)
208-362-3
Created by admin on Fri Dec 15 15:00:29 UTC 2023 , Edited by admin on Fri Dec 15 15:00:29 UTC 2023
PRIMARY
EPA CompTox
DTXSID20966811
Created by admin on Fri Dec 15 15:00:29 UTC 2023 , Edited by admin on Fri Dec 15 15:00:29 UTC 2023
PRIMARY
Related Record Type Details
SOLVATE->ANHYDROUS
SOLVATE->ANHYDROUS
PARENT -> SALT/SOLVATE