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

Details

Stereochemistry ACHIRAL
Molecular Formula C25H28N2O6S
Molecular Weight 484.565
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of OMEGA-HYDROXY EVATANEPAG

SMILES

CC(C)(CO)C1=CC=C(CN(CC2=CC(OCC(O)=O)=CC=C2)S(=O)(=O)C3=CN=CC=C3)C=C1

InChI

InChIKey=XKQNMAZMTKTTIA-UHFFFAOYSA-N
InChI=1S/C25H28N2O6S/c1-25(2,18-28)21-10-8-19(9-11-21)15-27(34(31,32)23-7-4-12-26-14-23)16-20-5-3-6-22(13-20)33-17-24(29)30/h3-14,28H,15-18H2,1-2H3,(H,29,30)

HIDE SMILES / InChI

Molecular Formula C25H28N2O6S
Molecular Weight 484.565
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:42:12 GMT 2023
Edited
by admin
on Sat Dec 16 16:42:12 GMT 2023
Record UNII
598TY5TBF1
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
OMEGA-HYDROXY EVATANEPAG
Common Name English
2-(3-((((4-(2-HYDROXY-1,1-DIMETHYLETHYL)PHENYL)METHYL)(3-PYRIDINYLSULFONYL)AMINO)METHYL)PHENOXY)ACETIC ACID
Systematic Name English
ACETIC ACID, 2-(3-((((4-(2-HYDROXY-1,1-DIMETHYLETHYL)PHENYL)METHYL)(3-PYRIDINYLSULFONYL)AMINO)METHYL)PHENOXY)-
Systematic Name English
(3-(((4-(2-HYDROXY-1,1-DIMETHYLETHYL)BENZYL)-N-((PYRIDIN-3-YL)SULFONYL)AMINO)METHYL)PHENOXY)ACETIC ACID
Systematic Name English
CP-533,536 METABOLITE M4
Common Name English
Code System Code Type Description
PUBCHEM
9956982
Created by admin on Sat Dec 16 16:42:12 GMT 2023 , Edited by admin on Sat Dec 16 16:42:12 GMT 2023
PRIMARY
FDA UNII
598TY5TBF1
Created by admin on Sat Dec 16 16:42:12 GMT 2023 , Edited by admin on Sat Dec 16 16:42:12 GMT 2023
PRIMARY
CAS
574759-32-3
Created by admin on Sat Dec 16 16:42:12 GMT 2023 , Edited by admin on Sat Dec 16 16:42:12 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
IN VITRO