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Propafenone-d5 Hydrochloride

CAT: 0572-TRC-P757502-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P757502-10MGSize:10 mg
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CAS Number
1346605-05-7
Synonyms
1-[2-[2-Hydroxy-3-(propylamino)propoxy-d5]phenyl]-3-phenyl-1-propanone Hydrochloride; 2'-[2-Hydroxy-3-(propylamino)propoxy-d5]-3-phenylpropiophenone Hydrochloride; Arythmol-d5; Pronon-d5; Rythmol-d5; Rytmonorm-d5;
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
O=C(CCC1=CC=CC=C1)C2=C(OC([2H])([2H])C([2H])(O)C([2H])([2H])NCCC)C=CC=C2.Cl
Molecular Formula
C21H23D5ClNO3
Molecular Weight
382.94
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Propafenone-d5 Hydrochloride
CAS Number1346605-05-7
PubChem CID71751810
IUPAC Name1-[2-[1,1,2,3,3-pentadeuterio-2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenylpropan-1-one;hydrochloride
Molecular FormulaC21H28ClNO3
Molecular Weight382.9
Topological Polar Surface Area58.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count11
Heavy Atom Count26
Formal Charge0
Complexity368
SMILES
[2H]C([2H])(C([2H])(C([2H])([2H])OC1=CC=CC=C1C(=O)CCC2=CC=CC=C2)O)NCCC.Cl
InChI
InChI=1S/C21H27NO3.ClH/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;1H/i15D2,16D2,18D;
InChIKey
XWIHRGFIPXWGEF-FIFLIBHCSA-N
Chemical Structure
2D Structure
2D structure of Propafenone-d5 Hydrochloride
CAS: 1346605-05-7
CID: 71751810
Formula: C21H28ClNO3
MW: 382.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight382.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count11
Exact Mass382.2071552
Monoisotopic Mass382.2071552
Topological Polar Surface Area58.6 Ų
Heavy Atom Count26
Formal Charge0
Complexity368
Isotope Atom Count5
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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