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Details

Stereochemistry ACHIRAL
Molecular Formula C27H36N2O5S
Molecular Weight 500.6523
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DEBUTYLDRONEDARONE

SMILES

CCCCc1c(c2cc(ccc2o1)NS(=O)(=O)C)C(=O)c3ccc(cc3)OCCCNCCCC

InChI

InChIKey=IJVZZGIAELTWBB-UHFFFAOYSA-N
InChI=1S/C27H36N2O5S/c1-4-6-9-25-26(23-19-21(29-35(3,31)32)12-15-24(23)34-25)27(30)20-10-13-22(14-11-20)33-18-8-17-28-16-7-5-2/h10-15,19,28-29H,4-9,16-18H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C27H36N2O5S
Molecular Weight 500.6523
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Target ID: P10827
Gene ID: 7067.0
Gene Symbol: THRA
Target Organism: Homo sapiens (Human)
PubMed

PubMed

TitleDatePubMed
Simultaneous determination of dronedarone and its active metabolite debutyldronedarone in human plasma by liquid chromatography-tandem mass spectrometry: application to a pharmacokinetic study.
2011 Oct 15
Action of specific thyroid hormone receptor α(1) and β(1) antagonists in the central and peripheral regulation of thyroid hormone metabolism in the rat.
2012 Dec
Substance Class Chemical
Created
by admin
on Sat Jun 26 11:08:16 UTC 2021
Edited
by admin
on Sat Jun 26 11:08:16 UTC 2021
Record UNII
C3801M93QC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DEBUTYLDRONEDARONE
Common Name English
DRONEDARONE METABOLITE H25A
Common Name English
N-(2-BUTYL-3-(4-(3-(BUTYLAMINO)PROPOXY)BENZOYL)BENZOFURAN-5-YL)METHANESULFONAMIDE
Systematic Name English
DRONEDARONE RELATED COMPOUND A [USP]
Common Name English
DRONEDARONE RELATED COMPOUND A [USP-RS]
Common Name English
SR 35021
Code English
SR-35021
Code English
METHANESULFONAMIDE, N-(2-BUTYL-3-(4-(3-(BUTYLAMINO)PROPOXY)BENZOYL)-5-BENZOFURANYL)-
Systematic Name English
Code System Code Type Description
FDA UNII
C3801M93QC
Created by admin on Sat Jun 26 11:08:16 UTC 2021 , Edited by admin on Sat Jun 26 11:08:16 UTC 2021
PRIMARY
USP_CATALOG
1228541
Created by admin on Sat Jun 26 11:08:16 UTC 2021 , Edited by admin on Sat Jun 26 11:08:16 UTC 2021
PRIMARY USP-RS
EPA CompTox
141626-35-9
Created by admin on Sat Jun 26 11:08:16 UTC 2021 , Edited by admin on Sat Jun 26 11:08:16 UTC 2021
PRIMARY
CAS
141626-35-9
Created by admin on Sat Jun 26 11:08:16 UTC 2021 , Edited by admin on Sat Jun 26 11:08:16 UTC 2021
PRIMARY
PUBCHEM
10255437
Created by admin on Sat Jun 26 11:08:16 UTC 2021 , Edited by admin on Sat Jun 26 11:08:16 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE LESS ACTIVE
Dronedarone is extensively metabolized, mainly by CYP 3A
MAJOR
PLASMA
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP