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Details

Stereochemistry ACHIRAL
Molecular Formula C23H27NO6S
Molecular Weight 445.5305
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DRONEDARONE METABOLITE H19B

SMILES

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

InChI

InChIKey=KOCBODZSBFXCPL-UHFFFAOYSA-N
InChI=1S/C23H27NO6S/c1-3-4-6-21-22(19-15-17(24-31(2,27)28)9-12-20(19)30-21)23(26)16-7-10-18(11-8-16)29-14-5-13-25/h7-12,15,24-25H,3-6,13-14H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C23H27NO6S
Molecular Weight 445.5305
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 Jun 26 09:34:15 UTC 2021
Edited
by admin
on Sat Jun 26 09:34:15 UTC 2021
Record UNII
N9M9R8L6HY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DRONEDARONE METABOLITE H19B
Common Name English
METHANESULFONAMIDE, N-(2-BUTYL-3-(4-(3-HYDROXYPROPOXY)BENZOYL)-5-BENZOFURANYL)-
Systematic Name English
N-(2-BUTYL-3-(4-(3-HYDROXYPROPOXY)BENZOYL)-5-BENZOFURANYL)METHANESULFONAMIDE
Systematic Name English
Code System Code Type Description
FDA UNII
N9M9R8L6HY
Created by admin on Sat Jun 26 09:34:15 UTC 2021 , Edited by admin on Sat Jun 26 09:34:15 UTC 2021
PRIMARY
PUBCHEM
123819008
Created by admin on Sat Jun 26 09:34:15 UTC 2021 , Edited by admin on Sat Jun 26 09:34:15 UTC 2021
PRIMARY
CAS
1310430-08-0
Created by admin on Sat Jun 26 09:34:15 UTC 2021 , Edited by admin on Sat Jun 26 09:34:15 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
FECAL; URINE