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(S)-Propafenone

CAT: 0572-TRC-P757496-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P757496-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
107381-32-8
Synonyms
1-Propanone, 1-[2-[(2S)-2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenyl-; 1-Propanone, 1-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenyl-, (S)-; 1-[2-[(2S)-2-Hydroxy-3-(propylamino)propoxy]phenyl]-3-phenyl-1-propanone; (-)-(S)-Propafenone; (-)-Propafenone; (S)-Propafenone
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
CCCNC[C@H](O)COc1ccccc1C(=O)CCc2ccccc2
Molecular Formula
C21 H27 N O3
Molecular Weight
341.44
InChI
InChI=1S/C21H27NO3/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/h3-11,18,22-23H,2,12-16H2,1H3/t18-/m0/s1
Additionnal Information
IUPAC name: 1-[2-[(2S)-2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenylpropan-1-one
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Propafenone, (S)-

(S)-Propafenone is under investigation in clinical trial NCT02710669 (New Formulations of Propafenone to Treat Atrial Fibrillation).

CAS Number107381-32-8
PubChem CID184820
IUPAC Name1-[2-[(2S)-2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenylpropan-1-one
Molecular FormulaC21H27NO3
Molecular Weight341.4
XLogP3.3
Topological Polar Surface Area58.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count11
Heavy Atom Count25
Formal Charge0
Complexity368
SMILES
CCCNC[C@@H](COC1=CC=CC=C1C(=O)CCC2=CC=CC=C2)O
InChI
InChI=1S/C21H27NO3/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/h3-11,18,22-23H,2,12-16H2,1H3/t18-/m0/s1
InChIKey
JWHAUXFOSRPERK-SFHVURJKSA-N
Chemical Structure
2D Structure
2D structure of Propafenone, (S)-
CAS: 107381-32-8
CID: 184820
Formula: C21H27NO3
MW: 341.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight341.4
XLogP33.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count11
Exact Mass341.19909372
Monoisotopic Mass341.19909372
Topological Polar Surface Area58.6 Ų
Heavy Atom Count25
Formal Charge0
Complexity368
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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