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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H28N2O4
Molecular Weight 396.4794
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of QUININE ETHYLCARBONATE

SMILES

[H][C@]1(C[C@@H]2CC[N@]1C[C@@H]2C=C)[C@H](OC(=O)OCC)C3=C4C=C(OC)C=CC4=NC=C3

InChI

InChIKey=NSBRKSWSLRQPJW-WWLNLUSPSA-N
InChI=1S/C23H28N2O4/c1-4-15-14-25-11-9-16(15)12-21(25)22(29-23(26)28-5-2)18-8-10-24-20-7-6-17(27-3)13-19(18)20/h4,6-8,10,13,15-16,21-22H,1,5,9,11-12,14H2,2-3H3/t15-,16-,21-,22+/m0/s1

HIDE SMILES / InChI

Molecular Formula C23H28N2O4
Molecular Weight 396.4794
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:06:48 UTC 2023
Edited
by admin
on Fri Dec 15 15:06:48 UTC 2023
Record UNII
L2V8911157
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
QUININE ETHYLCARBONATE
WHO-DD  
Common Name English
QUININE ETABONATE [MART.]
Common Name English
QUININE ETABONATE
MART.  
Common Name English
EUQUININE
Common Name English
QUININE ETHYLCARBONATE [JAN]
Common Name English
QUININE ETHYL CARBONATE
Common Name English
NSC-755879
Code English
AECACHINIUM
Common Name English
Quinine ethylcarbonate [WHO-DD]
Common Name English
EUQUININ
Common Name English
CINCHONAN-9-OL, 6'-METHOXY-, 9-(ETHYL CARBONATE), (8.ALPHA.,9R)-
Common Name English
Code System Code Type Description
NSC
755879
Created by admin on Fri Dec 15 15:06:48 UTC 2023 , Edited by admin on Fri Dec 15 15:06:48 UTC 2023
PRIMARY
PUBCHEM
6975516
Created by admin on Fri Dec 15 15:06:48 UTC 2023 , Edited by admin on Fri Dec 15 15:06:48 UTC 2023
PRIMARY
FDA UNII
L2V8911157
Created by admin on Fri Dec 15 15:06:48 UTC 2023 , Edited by admin on Fri Dec 15 15:06:48 UTC 2023
PRIMARY
ECHA (EC/EINECS)
201-500-3
Created by admin on Fri Dec 15 15:06:48 UTC 2023 , Edited by admin on Fri Dec 15 15:06:48 UTC 2023
PRIMARY
EPA CompTox
DTXSID0045965
Created by admin on Fri Dec 15 15:06:48 UTC 2023 , Edited by admin on Fri Dec 15 15:06:48 UTC 2023
PRIMARY
ChEMBL
CHEMBL3138665
Created by admin on Fri Dec 15 15:06:48 UTC 2023 , Edited by admin on Fri Dec 15 15:06:48 UTC 2023
PRIMARY
EVMPD
SUB15090MIG
Created by admin on Fri Dec 15 15:06:48 UTC 2023 , Edited by admin on Fri Dec 15 15:06:48 UTC 2023
PRIMARY
CAS
83-75-0
Created by admin on Fri Dec 15 15:06:48 UTC 2023 , Edited by admin on Fri Dec 15 15:06:48 UTC 2023
PRIMARY
SMS_ID
100000078621
Created by admin on Fri Dec 15 15:06:48 UTC 2023 , Edited by admin on Fri Dec 15 15:06:48 UTC 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY