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

Details

Stereochemistry ACHIRAL
Molecular Formula C23H25NO7S
Molecular Weight 459.512
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(4-((2-BUTYL-5-((METHYLSULFONYL)AMINO)-3-BENZOFURANYL)CARBONYL)PHENOXY)PROPANOIC ACID

SMILES

CCCCC1=C(C(=O)C2=CC=C(OCCC(O)=O)C=C2)C3=CC(NS(C)(=O)=O)=CC=C3O1

InChI

InChIKey=VPABLERXURTAFT-UHFFFAOYSA-N
InChI=1S/C23H25NO7S/c1-3-4-5-20-22(18-14-16(24-32(2,28)29)8-11-19(18)31-20)23(27)15-6-9-17(10-7-15)30-13-12-21(25)26/h6-11,14,24H,3-5,12-13H2,1-2H3,(H,25,26)

HIDE SMILES / InChI

Molecular Formula C23H25NO7S
Molecular Weight 459.512
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 14:51:36 UTC 2023
Edited
by admin
on Sat Dec 16 14:51:36 UTC 2023
Record UNII
P7K8A6HQU5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(4-((2-BUTYL-5-((METHYLSULFONYL)AMINO)-3-BENZOFURANYL)CARBONYL)PHENOXY)PROPANOIC ACID
Systematic Name English
DRONEDARONE METABOLITE H25B
Common Name English
PROPANOIC ACID, 3-(4-((2-BUTYL-5-((METHYLSULFONYL)AMINO)-3-BENZOFURANYL)CARBONYL)PHENOXY)-
Systematic Name English
3-(4-((2-BUTYL-5-((METHYLSULFONYL)AMINO)BENZO(B)FURAN-3-YL)CARBONYL)PHENOXY)PROPANOIC ACID
Systematic Name English
SR90154
Common Name English
Code System Code Type Description
PUBCHEM
71495101
Created by admin on Sat Dec 16 14:51:37 UTC 2023 , Edited by admin on Sat Dec 16 14:51:37 UTC 2023
PRIMARY
CAS
1421311-24-1
Created by admin on Sat Dec 16 14:51:37 UTC 2023 , Edited by admin on Sat Dec 16 14:51:37 UTC 2023
PRIMARY
FDA UNII
P7K8A6HQU5
Created by admin on Sat Dec 16 14:51:37 UTC 2023 , Edited by admin on Sat Dec 16 14:51:37 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
MAJOR
PLASMA