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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H24N2O3
Molecular Weight 340.4169
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2'-OXOQUININE

SMILES

C=C[C@@]1([H])CN2CC[C@@]1([H])C[C@@]2([H])[C@@]([H])(C3=c4cc(ccc4=NC(=O)C3)OC)O

InChI

InChIKey=CTPMRCUKNXMFRT-OCCRYCDCSA-N
InChI=1S/C20H24N2O3/c1-3-12-11-22-7-6-13(12)8-18(22)20(24)16-10-19(23)21-17-5-4-14(25-2)9-15(16)17/h3-5,9,12-13,18,20,24H,1,6-8,10-11H2,2H3/t12-,13-,18-,20+/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H24N2O3
Molecular Weight 340.4169
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 Sat Jun 26 14:44:14 UTC 2021
Edited
by admin
on Sat Jun 26 14:44:14 UTC 2021
Record UNII
1307GQ08VK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2'-OXOQUININE
Common Name English
2'-HYDROXYQUININE
Common Name English
CINCHONAN-2'(1'H)-ONE, 9-HYDROXY-6'-METHOXY-, (8.ALPHA.,9R)-
Systematic Name English
2'-QUININONE
Common Name English
Code System Code Type Description
PUBCHEM
91810516
Created by admin on Sat Jun 26 14:44:14 UTC 2021 , Edited by admin on Sat Jun 26 14:44:14 UTC 2021
PRIMARY
FDA UNII
1307GQ08VK
Created by admin on Sat Jun 26 14:44:14 UTC 2021 , Edited by admin on Sat Jun 26 14:44:14 UTC 2021
PRIMARY
CAS
36508-93-7
Created by admin on Sat Jun 26 14:44:14 UTC 2021 , Edited by admin on Sat Jun 26 14:44:14 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
PLASMA; URINE