Amiodarone EP Impurity E

CAT: 1299-RM-A041805-03Size: 50 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-A041805-03Size:50 mg

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CAS Number

52490-15-0

Synonyms

(2-butylbenzofuran-3-yl) (4-hydroxyphenyl) methanone

Molecular Formula

C19H18O3

Molecular Weight

294.34

Target Alternative Name

Amiodarone

Product Name Synonym

(2-butylbenzofuran-3-yl) (4-hydroxyphenyl) methanone

Chemical Information

(2-Butylbenzofuran-3-yl) (4-hydroxyphenyl) ketone

(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone is a member of benzofurans.

CAS Number	52490-15-0
PubChem CID	96670
IUPAC Name	(2-butyl-1-benzofuran-3-yl)-(4-hydroxyphenyl)methanone
Molecular Formula	C19H18O3
Molecular Weight	294.3
XLogP	5.2
Topological Polar Surface Area	50.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	22
Formal Charge	0
Complexity	373

SMILES

CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC=C(C=C3)O

InChI

InChI=1S/C19H18O3/c1-2-3-7-17-18(15-6-4-5-8-16(15)22-17)19(21)13-9-11-14(20)12-10-13/h4-6,8-12,20H,2-3,7H2,1H3

InChIKey

ZHGKQUXXASLVQQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 52490-15-0

CID: 96670

Formula: C19H18O3

MW: 294.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	294.3
XLogP3	5.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	294.125594432
Monoisotopic Mass	294.125594432
Topological Polar Surface Area	50.4 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	373
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RM-A041801-01	Amiodarone EP Impurity A
RM-A041807-01	Amiodarone EP Impurity G
RM-A041806-01	Amiodarone EP Impurity F
RM-A041804-01	Amiodarone EP Impurity D
RM-A041802-01	Amiodarone EP Impurity B
RM-A041803-01	Amiodarone EP Impurity C
RM-A041808-01	Amiodarone EP Impurity H ((controlled substance)
RM-L202405-01	Levothyroxine EP Impurity E; Liothyronine EP Impurity E
RM-O132305-01	Omeprazole EP Impurity E; Esomeprazole EP Impurity E
RM-P182605-01	Prazosin EP Impurity E; Doxazosin EP Impurity H; Terazosin EP Impurity E

Catalog	Name
IA63609-01	Amiodarone impurity E
AR-A06259-01	Amiodarone Impurity 10
AR-A06265-01	Amiodarone Impurity 18
AR-A06263-01	Amiodarone Impurity 14
AR-A06264-01	Amiodarone Impurity 15
AR-A06261-01	Amiodarone Impurity 12
AR-A06260-01	Amiodarone Impurity 11
AR-A06258-01	Amiodarone Impurity 9
AR-A04870-01	Amiodarone Diketone Impurity
AR-A01953-01	Amiodarone Impurity 2