Propafenone Impurity B (EP/BP/USP)

CAT: 1596-AR-P03025-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-P03025-01Size:10 Units

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CAS Number

88308-22-9

Synonyms

(E) -1- (2- (2-hydroxy-3- (propylamino) propoxy) phenyl) -3-phenylprop-2-en-1-one; (2E) -Dehydro Propafenone

Molecular Formula

C21H25NO3

Molecular Weight

339.43

API Name

Propafenone

Chemical Information

Desphenethyl-(E)-styrylpropafenone

CAS Number	88308-22-9
PubChem CID	71315335
IUPAC Name	(E)-1-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenylprop-2-en-1-one
Molecular Formula	C21H25NO3
Molecular Weight	339.4
XLogP	3.5
Topological Polar Surface Area	58.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	10
Heavy Atom Count	25
Formal Charge	0
Complexity	404

SMILES

CCCNCC(COC1=CC=CC=C1C(=O)/C=C/C2=CC=CC=C2)O

InChI

InChI=1S/C21H25NO3/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17/h3-13,18,22-23H,2,14-16H2,1H3/b13-12+

InChIKey

STGHQQSGJSJCGH-OUKQBFOZSA-N

Chemical Structure

2D Structure

CAS: 88308-22-9

CID: 71315335

Formula: C21H25NO3

MW: 339.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	339.4
XLogP3	3.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	10
Exact Mass	339.18344366
Monoisotopic Mass	339.18344366
Topological Polar Surface Area	58.6 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	404
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-P03024-01	Propafenone Impurity A (EP/BP)
AR-P03028-01	Propafenone Impurity E (EP/BP)
AR-P03029-01	Propafenone EP Impurity F
AR-P03031-01	Propafenone EP Impurity H
AR-P03026-01	Propafenone EP Impurity C
AR-P03032-01	Propafenone EP Impurity D
AR-P33661-01	N-Nitroso Propafenone EP Impurity B (Racemic)
AR-P29439-01	Propafenone EP Impurity H (R Isomer)
AR-P29443-01	Propafenone EP Impurity H (S isomer)
AR-P03030-01	Propafenone EP Impurity G (Mixture of Diastereomers)

Catalog	Name
RM-P161601-01	Propafenone EP Impurity A
RM-P161605-01	Propafenone EP Impurity E
CS-O-13603	Propafenone EP Impurity D
RM-P161608-01	Propafenone EP Impurity H
RM-P161606-01	Propafenone EP Impurity F
RM-P161603-01	Propafenone EP Impurity C
RM-P161602-01	Propafenone EP Impurity B
RM-P161607-01	Propafenone EP Impurity G
RM-F122401-01	Fluoxetine EP Impurity A; Atomoxetine EP Impurity H (Atomoxetine USP Rc A)
RM-C201805-01	Cetirizine EP Impurity E; USP ethoxycetirizine