(5-Amino-2-butylbenzofuran-3-yl)(4-(3-(dibutylamino)propoxy)phenyl)methanone

HCID 11488441

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Basic information

CAS: 141644-91-9
Standard SMILES: CCCCc1oc2ccc(N)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1
InChIKey: SPIIBUQYWNFELT-UHFFFAOYSA-N
Molecular formula: C30H42N2O3
Average molar mass: 478.7 g/mol
Monoisotopic mass: 478.31954321

Names & identifiers

Preferred name: (5-Amino-2-butylbenzofuran-3-yl)(4-(3-(dibutylamino)propoxy)phenyl)methanone
IUPAC: (5-amino-2-butyl-1-benzofuran-3-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone
English name: (5-Amino-2-butyl-3-benzofuranyl)[4-[3-(dibutylamino)propoxy]phenyl]methanone
Molecular formula: C30H42N2O3
Molecular weight: 478.67

Names & synonyms

141644-91-9(5-Amino-2-butylbenzofuran-3-yl)(4-(3-(dibutylamino)propoxy)phenyl)methanone(5-amino-2-butyl-1-benzofuran-3-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone(5-AMINO-2-BUTYL-3-BENZOFURANYL)[4-[3-(DIBUTYLAMINO)PROPOXY]PHENYL]METHANONEMethanone, (5-amino-2-butyl-3-benzofuranyl)[4-[3-(dibutylamino)propoxy]phenyl]-HJS89VA2WCCHEMBL4877298Dronedarone metabolite, SR 33580(5-Amino-2-butylbenzofuran-3-yl)(4-(3-(dibutyl-amino)propoxy)phenyl)methanoneSR-33580(5-Amino-2-butyl-3-benzofuranyl)(4-(3-(dibutylamino)propoxy)phenyl)methanone5-Amino-2-butyl-3-(4-(3-(dibutylamino)propoxy)benzoyl)benzofuran

Show more names

Dronedarone impurity AHydrochloride Juneladron Impurity JNDL-1Dronedaron Impurity A/ Dronadarone Amino ImpurityDronedarone Impurity 2 Monomer(Dronedarone USP RC B Monomer)2-Butyl-3-(4-(3-dibutylaminopropoxy)benzoyl)-5-aminobenzofuran(5-Amino-2-butyl-1-benzofuran-3-yl){4-[3-(dibutylamino)propo...

(5-Amino-2-butyl-1-benzofuran-3-yl){4-[3-(dibutylamino)propoxy]phenyl}methanone(5-amino-2-butyl-benzofuran-3-yl)-[4-(3-dibutylamino-propoxy)-phenyl]-methanoneMethanone, (5-amino-2-butyl-3-benzofuranyl)(4-(3-(dibutylamino)propoxy)phenyl)-5-amino-2-butyl-3-(4-[3-(dibutylamino)propoxy]benzoyl)benzofuran5-Amino-2-butyl-3-[4-[3-(dibutylamino)propoxy]benzoyl]benzofuran(5-Amino-2-butyl-1-benzofuran-3-yl)-(4-(3-(dibutylamino)propoxy)phenyl)methanoneSPIIBUQYWNFELT-UHFFFAOYSA-NC30H42N2O3

Database identifiers

CAS: 141644-91-9
PubChem CID: 11488441
DTXSID: DTXSID00467457
ChEMBL: CHEMBL4877298
UNII: HJS89VA2WC
EC Number: 604-243-9
Nikkaji: J3.309.671B

Properties

Computed structural properties

XLogP: 7.6
Topological polar surface area: 68.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 16
Heavy atoms: 35
Formal charge: 0
Complexity: 584

Physicochemical properties

Boiling point: 630.2 · 630.2±55.0 °C(Predicted)
Density: 1.066 · 1.066
storage temp.: Hygroscopic, Refrigerator, under inert atmosphere
solubility: DMSO (Slightly), Methanol (Slightly)
pka: 9.44 · 9.44±0.50(Predicted)
form: Oil
color: Very Dark Orange
FDA UNII: 89 VA2WC · HJS89VA2WC
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P280-P301+P312-P302+P352-P305+P351+P338

Chemistry & industry

Applications · 1 item

Uses(5-Amino-2-butyl-3-benzofuranyl)[4-[3-(dibutylamino)propoxy]phenyl]methanone is an intermediate used in the synthesis of dronedarone hydrochloride (I), a class III antiarrhythmia drug for the prevention of cardiac arrhythmias such as atrial fibrillation.