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Details

Stereochemistry RACEMIC
Molecular Formula C24H24N4O5S.H2O4S
Molecular Weight 578.615
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LOBEGLITAZONE SULFATE

SMILES

OS(O)(=O)=O.COC1=CC=C(OC2=CC(=NC=N2)N(C)CCOC3=CC=C(CC4SC(=O)NC4=O)C=C3)C=C1

InChI

InChIKey=IFBYQAMJTBOBHB-UHFFFAOYSA-N
InChI=1S/C24H24N4O5S.H2O4S/c1-28(21-14-22(26-15-25-21)33-19-9-7-17(31-2)8-10-19)11-12-32-18-5-3-16(4-6-18)13-20-23(29)27-24(30)34-20;1-5(2,3)4/h3-10,14-15,20H,11-13H2,1-2H3,(H,27,29,30);(H2,1,2,3,4)

HIDE SMILES / InChI

Molecular Formula H2O4S
Molecular Weight 98.078
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C24H24N4O5S
Molecular Weight 480.536
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:01:02 UTC 2023
Edited
by admin
on Fri Dec 15 15:01:02 UTC 2023
Record UNII
95C712E83P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LOBEGLITAZONE SULFATE
WHO-DD  
Common Name English
2,4-THIAZOLIDINEDIONE, 5-((4-(2-((6-(4-METHOXYPHENOXY)-4-PYRIMIDINYL)METHYLAMINO)ETHOXY)PHENYL)METHYL)-, SULFATE (1:1)
Systematic Name English
Lobeglitazone sulfate [WHO-DD]
Common Name English
CKD-501
Code English
(±)-2,4-THIAZOLIDINEDIONE, 5-((4-(2-((6-(4-METHOXYPHENOXY)-4-PYRIMIDINYL)METHYLAMINO)ETHOXY)PHENYL)METHYL)-, SULFATE (1:1)
Systematic Name English
Code System Code Type Description
SMS_ID
100000168554
Created by admin on Fri Dec 15 15:01:02 UTC 2023 , Edited by admin on Fri Dec 15 15:01:02 UTC 2023
PRIMARY
EPA CompTox
DTXSID20997665
Created by admin on Fri Dec 15 15:01:02 UTC 2023 , Edited by admin on Fri Dec 15 15:01:02 UTC 2023
PRIMARY
FDA UNII
95C712E83P
Created by admin on Fri Dec 15 15:01:02 UTC 2023 , Edited by admin on Fri Dec 15 15:01:02 UTC 2023
PRIMARY
EVMPD
SUB182020
Created by admin on Fri Dec 15 15:01:02 UTC 2023 , Edited by admin on Fri Dec 15 15:01:02 UTC 2023
PRIMARY
PUBCHEM
15951505
Created by admin on Fri Dec 15 15:01:02 UTC 2023 , Edited by admin on Fri Dec 15 15:01:02 UTC 2023
PRIMARY
CAS
763108-62-9
Created by admin on Fri Dec 15 15:01:02 UTC 2023 , Edited by admin on Fri Dec 15 15:01:02 UTC 2023
PRIMARY
DRUG BANK
DBSALT002555
Created by admin on Fri Dec 15 15:01:02 UTC 2023 , Edited by admin on Fri Dec 15 15:01:02 UTC 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
PARENT -> SALT/SOLVATE
ENANTIOMER -> RACEMATE
Related Record Type Details
ACTIVE MOIETY