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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H26N2O3
Molecular Weight 342.4328
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HYDROXYHYDROQUININE, (10S)-

SMILES

C[C@@]([H])([C@@]1([H])CN2CC[C@@]1([H])C[C@@]2([H])[C@@]([H])(c3ccnc4ccc(cc34)OC)O)O

InChI

InChIKey=ZECCJJVLKCNRCN-URMOITLNSA-N
InChI=1S/C20H26N2O3/c1-12(23)17-11-22-8-6-13(17)9-19(22)20(24)15-5-7-21-18-4-3-14(25-2)10-16(15)18/h3-5,7,10,12-13,17,19-20,23-24H,6,8-9,11H2,1-2H3/t12-,13-,17+,19-,20+/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H26N2O3
Molecular Weight 342.4328
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Jun 25 22:55:59 UTC 2021
Edited
by admin
on Fri Jun 25 22:55:59 UTC 2021
Record UNII
JOH798527Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HYDROXYHYDROQUININE, (10S)-
Common Name English
CINCHONAN-9,10-DIOL, 10,11-DIHYDRO-6'-METHOXY-, (8.ALPHA.,9R,10S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
91827245
Created by admin on Fri Jun 25 22:55:59 UTC 2021 , Edited by admin on Fri Jun 25 22:55:59 UTC 2021
PRIMARY
FDA UNII
JOH798527Q
Created by admin on Fri Jun 25 22:55:59 UTC 2021 , Edited by admin on Fri Jun 25 22:55:59 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
MINOR
PLASMA; URINE