General Information of the Compound
Compound ID
CP0237326
Compound Name
N-[4-[4-[ethyl(heptyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide
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Synonyms
(+-)-4'-(4-(Ethylheptylamino)-1-hydroxybutyl)methanesulfoanilide (E)-2-butenedioate (2:1)
(+-)-4'-(4-(Ethylheptylamino)-1-hydroxybutyl)methanesulfonanilide fumarate (2:1) (salt)
(+-)-N-(4-(4-(Ethylheptylamino)-1-hydroxybutyl)phenyl)methanesulfonamide (E)-butenedioate
Butilide fumarate
Corvert
Corvert (TN)
IBUTILIDE FUMARATE
Ibutilida
Ibutilida [INN-Spanish]
Ibutilide
Ibutilide (INN)
Ibutilide Fumarate [USAN]
Ibutilide [BAN:INN]
Ibutilide [INN:BAN]
Ibutilide fumarate (USAN)
Ibutilide, (+-)-isomer
Ibutilide, fumarate salt (2:1), (+-)-isomer
Ibutilidum
Ibutilidum [INN-Latin]
Methanesulfonamide, N-(4-(4-(ethylheptylamino)-1-hydroxybutyl)phenyl)-, (+-)-, (E)-2-butenedioate (2:1) (salt)
Methanesulfonamide, N-(4-(4-(ethylheptylamino)-1-hydroxybutyl)phenyl)-, (+-)-,(E)-2-butenedioate (2:1) (salt)
Methanesulfonamide, N-(4-(4-(ethylheptylamino)-1-hydroxybutyl)phenyl)-, (E)-2-butenedioate (2:1) (salt)
N-(4-(4-(ethylheptylamino)-1-hydroxybutyl)phenyl)methanesulfonamide
N-(4-{4-[ethyl(heptyl)amino]-1-hydroxybutyl}phenyl)methanesulfonamide
N-[4-[4-[ethyl(heptyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide
U 70226E
U-70226E
U-82208E
U-82209E
U82208E
U82209E
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Structure
Formula
C20H36N2O3S
Molecular Weight
384.586
Canonical SMILES
CCCCCCCN(CC)CCCC(O)c1ccc(NS(C)(=O)=O)cc1
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InChI
InChI=1S/C20H36N2O3S/c1-4-6-7-8-9-16-22(5-2)17-10-11-20(23)18-12-14-19(15-13-18)21-26(3,24)25/h12-15,20-21,23H,4-11,16-17H2,1-3H3
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InChIKey
ALOBUEHUHMBRLE-UHFFFAOYSA-N
CAS
122647-31-8
Physicochemical Property
logP
4.164
Rotatable Bonds
14
Heavy Atom Count
26
Polar Areas
69.64
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
26

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 60753
SID: 14829603
ChEMBL ID
CHEMBL533
DrugBank ID
DB00308
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
IC50 = 10 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 10 nM
2 IC50 = 15.14 nM
3 IC50 = 20 nM
Clinical Information about the Compound
Drug 1 ( Ibutilide )
Drug Name Ibutilide
Company Pfizer Pharmaceuticals
Indication
Atrial fibrillation
Approved