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Propafenone D7 hydrochloride

CAT: 0931-T12548-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T12548-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1219799-06-0
Target
Sodium Channel
Related Pathways
Membrane transporter/Ion channel
Bioactivity
Propafenone D7 hydrochloride is the deuterium labeled Propafenone, and is a classic anti-arrhythmic medication.
Smiles
O(CC(CNC(C(C([2H])([2H])[2H])([2H])[2H])([2H])[2H])O)C1=C(C(CCC2=CC=CC=C2)=O)C=CC=C1.Cl
Molecular Formula
C21H28ClNO3
Molecular Weight
384.95
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Propafenone (D7 hydrochloride)
CAS Number1219799-06-0
PubChem CID76974366
IUPAC Name1-[2-[3-(1,1,2,2,3,3,3-heptadeuteriopropylamino)-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one;hydrochloride
Molecular FormulaC21H28ClNO3
Molecular Weight384.9
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])([2H])C([2H])([2H])C([2H])([2H])NCC(COC1=CC=CC=C1C(=O)CCC2=CC=CC=C2)O.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/i1D3,2D2,14D2;
InChIKey
XWIHRGFIPXWGEF-YYEJEILISA-N
Chemical Structure
2D Structure
2D structure of Propafenone (D7 hydrochloride)
CAS: 1219799-06-0
CID: 76974366
Formula: C21H28ClNO3
MW: 384.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight384.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count11
Exact Mass384.2197087
Monoisotopic Mass384.2197087
Topological Polar Surface Area58.6 Ų
Heavy Atom Count26
Formal Charge0
Complexity368
Isotope Atom Count7
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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