U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C26H32N2O8
Molecular Weight 500.5419
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of QUININE GLUCURONIDE

SMILES

C=C[C@@]1([H])CN2CC[C@@]1([H])C[C@@]2([H])[C@@]([H])(c3ccnc4ccc(cc34)OC)O[C@@]5([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C(=O)O)O5)O)O)O

InChI

InChIKey=ZAHHPDWPTDJTJI-HXLALOIQSA-N
InChI=1S/C26H32N2O8/c1-3-13-12-28-9-7-14(13)10-19(28)23(16-6-8-27-18-5-4-15(34-2)11-17(16)18)35-26-22(31)20(29)21(30)24(36-26)25(32)33/h3-6,8,11,13-14,19-24,26,29-31H,1,7,9-10,12H2,2H3,(H,32,33)/t13-,14-,19-,20-,21-,22+,23+,24-,26+/m0/s1

HIDE SMILES / InChI

Molecular Formula C26H32N2O8
Molecular Weight 500.5419
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Jun 25 23:03:12 UTC 2021
Edited
by admin
on Fri Jun 25 23:03:12 UTC 2021
Record UNII
354N1CG787
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
QUININE GLUCURONIDE
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (8.ALPHA.,9R)-6'-METHOXYCINCHONAN-9-YL
Systematic Name English
Code System Code Type Description
CAS
47773-68-2
Created by admin on Fri Jun 25 23:03:12 UTC 2021 , Edited by admin on Fri Jun 25 23:03:12 UTC 2021
PRIMARY
PUBCHEM
91810518
Created by admin on Fri Jun 25 23:03:12 UTC 2021 , Edited by admin on Fri Jun 25 23:03:12 UTC 2021
PRIMARY
FDA UNII
354N1CG787
Created by admin on Fri Jun 25 23:03:12 UTC 2021 , Edited by admin on Fri Jun 25 23:03:12 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
URINE