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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H32N2O8
Molecular Weight 500.5409
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of QUININE GLUCURONIDE

SMILES

[H][C@]1(C[C@@H]2CC[N@]1C[C@@H]2C=C)[C@H](O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C4=C5C=C(OC)C=CC5=NC=C4

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 500.5409
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 Sat Dec 16 09:09:33 UTC 2023
Edited
by admin
on Sat Dec 16 09:09:33 UTC 2023
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 Sat Dec 16 09:09:33 UTC 2023 , Edited by admin on Sat Dec 16 09:09:33 UTC 2023
PRIMARY
PUBCHEM
91810518
Created by admin on Sat Dec 16 09:09:33 UTC 2023 , Edited by admin on Sat Dec 16 09:09:33 UTC 2023
PRIMARY
FDA UNII
354N1CG787
Created by admin on Sat Dec 16 09:09:33 UTC 2023 , Edited by admin on Sat Dec 16 09:09:33 UTC 2023
PRIMARY
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