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Propafenone EP Impurity F

CAT: 1596-AR-P03029-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-P03029-01Size:10 Units
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CAS Number
1329643-40-4
Synonyms
1,1'- (((2-hydroxypropane-1,3-diyl) bis (oxy) ) bis (2,1-phenylene) ) bis (3-phenylpropan-1-one) ; Propafenone EP Impurity F; Propafenone BP Related Compound F;1,1’-[Hydroxypropane-1,3-diylbis (oxy-2,1-phenylene) ]bis (3-phenylpropan-1-one)
Molecular Formula
C33H32O5
Molecular Weight
508.61
API Name
Propafenone

Chemical Information

1,1'-(((2-Hydroxypropane-1,3-diyl)bis(oxy))bis(2,1-phenylene))bis(3-phenylpropan-1-one)
CAS Number1329643-40-4
PubChem CID71749297
IUPAC Name1-[2-[2-hydroxy-3-[2-(3-phenylpropanoyl)phenoxy]propoxy]phenyl]-3-phenylpropan-1-one
Molecular FormulaC33H32O5
Molecular Weight508.6
XLogP6.1
Topological Polar Surface Area72.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count14
Heavy Atom Count38
Formal Charge0
Complexity637
SMILES
C1=CC=C(C=C1)CCC(=O)C2=CC=CC=C2OCC(COC3=CC=CC=C3C(=O)CCC4=CC=CC=C4)O
InChI
InChI=1S/C33H32O5/c34-27(23-37-32-17-9-7-15-28(32)30(35)21-19-25-11-3-1-4-12-25)24-38-33-18-10-8-16-29(33)31(36)22-20-26-13-5-2-6-14-26/h1-18,27,34H,19-24H2
InChIKey
UHIVCAOXVHTEAY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,1'-(((2-Hydroxypropane-1,3-diyl)bis(oxy))bis(2,1-phenylene))bis(3-phenylpropan-1-one)
CAS: 1329643-40-4
CID: 71749297
Formula: C33H32O5
MW: 508.6
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight508.6
XLogP36.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count14
Exact Mass508.22497412
Monoisotopic Mass508.22497412
Topological Polar Surface Area72.8 Ų
Heavy Atom Count38
Formal Charge0
Complexity637
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

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AR-P03025-01Propafenone Impurity B (EP/BP/USP)
AR-P29439-01Propafenone EP Impurity H (R Isomer)
AR-P29443-01Propafenone EP Impurity H (S isomer)
AR-P03030-01Propafenone EP Impurity G (Mixture of Diastereomers)
AR-P33661-01N-Nitroso Propafenone EP Impurity B (Racemic)

Alternative Products

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RM-P161614-01Propafenone Impurity 14
RM-P161616-01Propafenone Impurity 16
RM-P161627-01Propafenone Impurity 27
RM-P161642-01Propafenone Impurity 42
RM-P161613-01Propafenone Impurity 13
RM-P161618-01Propafenone Impurity 18
RM-P161625-01Propafenone Impurity 25
RM-P161640-01Propafenone Impurity 40
RM-P161635-01Propafenone Impurity 35
RM-P161634-01Propafenone Impurity 34

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