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Details

Stereochemistry RACEMIC
Molecular Formula C24H21FNO6.Na
Molecular Weight 461.4148
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of KAT-681

SMILES

[Na+].CC1=CC(NC(=O)CC([O-])=O)=CC(C)=C1OC2=CC=C(O)C(=C2)C(O)C3=CC=C(F)C=C3

InChI

InChIKey=WIAUUVBWUTVDDD-UHFFFAOYSA-M
InChI=1S/C24H22FNO6.Na/c1-13-9-17(26-21(28)12-22(29)30)10-14(2)24(13)32-18-7-8-20(27)19(11-18)23(31)15-3-5-16(25)6-4-15;/h3-11,23,27,31H,12H2,1-2H3,(H,26,28)(H,29,30);/q;+1/p-1

HIDE SMILES / InChI

Approval Year

Name Type Language
KAT-681
Common Name English
PROPANOIC ACID, 3-((4-(3-((4-FLUOROPHENYL)HYDROXYMETHYL)-4-HYDROXYPHENOXY)-3,5-DIMETHYLPHENYL)AMINO)-3-OXO-, SODIUM SALT (1:1)
Systematic Name English
T-0681
Code English
PROPANOIC ACID, 3-((4-(3-((4-FLUOROPHENYL)HYDROXYMETHYL)-4-HYDROXYPHENOXY)-3,5-DIMETHYLPHENYL)AMINO)-3-OXO-, MONOSODIUM SALT
Systematic Name English
Code System Code Type Description
CAS
373641-87-3
Created by admin on Sat Dec 16 08:25:42 UTC 2023 , Edited by admin on Sat Dec 16 08:25:42 UTC 2023
PRIMARY
PUBCHEM
25070693
Created by admin on Sat Dec 16 08:25:42 UTC 2023 , Edited by admin on Sat Dec 16 08:25:42 UTC 2023
PRIMARY
FDA UNII
1026HR6G9C
Created by admin on Sat Dec 16 08:25:42 UTC 2023 , Edited by admin on Sat Dec 16 08:25:42 UTC 2023
PRIMARY