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Details

Stereochemistry RACEMIC
Molecular Formula C16H14N2O5S
Molecular Weight 346.358
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(4-(2-CARBOXYPROPOXY)-3-CYANOPHENYL)-4-METHYL-5-THIAZOLECARBOXYLIC ACID

SMILES

CC(COC1=C(C=C(C=C1)C2=NC(C)=C(S2)C(O)=O)C#N)C(O)=O

InChI

InChIKey=LCBACLAPKJRMIF-UHFFFAOYSA-N
InChI=1S/C16H14N2O5S/c1-8(15(19)20)7-23-12-4-3-10(5-11(12)6-17)14-18-9(2)13(24-14)16(21)22/h3-5,8H,7H2,1-2H3,(H,19,20)(H,21,22)

HIDE SMILES / InChI

Molecular Formula C16H14N2O5S
Molecular Weight 346.358
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:58:33 GMT 2023
Edited
by admin
on Sat Dec 16 08:58:33 GMT 2023
Record UNII
NRN27Y63ZG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(4-(2-CARBOXYPROPOXY)-3-CYANOPHENYL)-4-METHYL-5-THIAZOLECARBOXYLIC ACID
Systematic Name English
FEBUXOSTAT METABOLITE 67M-4
Common Name English
5-THIAZOLECARBOXYLIC ACID, 2-(4-(2-CARBOXYPROPOXY)-3-CYANOPHENYL)-4-METHYL-
Systematic Name English
Code System Code Type Description
FDA UNII
NRN27Y63ZG
Created by admin on Sat Dec 16 08:58:33 GMT 2023 , Edited by admin on Sat Dec 16 08:58:33 GMT 2023
PRIMARY
CAS
407582-49-4
Created by admin on Sat Dec 16 08:58:33 GMT 2023 , Edited by admin on Sat Dec 16 08:58:33 GMT 2023
PRIMARY
EPA CompTox
DTXSID701148050
Created by admin on Sat Dec 16 08:58:33 GMT 2023 , Edited by admin on Sat Dec 16 08:58:33 GMT 2023
PRIMARY
PUBCHEM
11956740
Created by admin on Sat Dec 16 08:58:33 GMT 2023 , Edited by admin on Sat Dec 16 08:58:33 GMT 2023
PRIMARY
Related Record Type Details
BINDER->LIGAND
BINDING
Related Record Type Details
PARENT -> METABOLITE ACTIVE
URINE