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5-Hydroxy Propafenone D5 Hydrochloride

CAT: 0931-T19153-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T19153-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1215370-87-8
Bioactivity
5-Hydroxy Propafenone D5 HCl is the deuterium labeled 5-Hydroxy Propafenone.
Smiles
C(CCC1=CC=CC=C1)(=O)C2=C(OC(C(C(NCCC)([2H])[2H])(O)[2H])([2H])[2H])C=CC(O)=C2.Cl
Molecular Formula
C21H28ClNO4
Molecular Weight
398.94
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

5-Hydroxy Propafenone-d5 Hydrochloride
CAS Number1215370-87-8
PubChem CID57369204
IUPAC Name1-[5-hydroxy-2-[1,1,2,3,3-pentadeuterio-2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenylpropan-1-one;hydrochloride
Molecular FormulaC21H28ClNO4
Molecular Weight398.9
Topological Polar Surface Area78.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Heavy Atom Count27
Formal Charge0
Complexity397
SMILES
[2H]C([2H])(C([2H])(C([2H])([2H])OC1=C(C=C(C=C1)O)C(=O)CCC2=CC=CC=C2)O)NCCC.Cl
InChI
InChI=1S/C21H27NO4.ClH/c1-2-12-22-14-18(24)15-26-21-11-9-17(23)13-19(21)20(25)10-8-16-6-4-3-5-7-16;/h3-7,9,11,13,18,22-24H,2,8,10,12,14-15H2,1H3;1H/i14D2,15D2,18D;
InChIKey
FAYLNKVZLXBDBE-CHHLNNTKSA-N
Chemical Structure
2D Structure
2D structure of 5-Hydroxy Propafenone-d5 Hydrochloride
CAS: 1215370-87-8
CID: 57369204
Formula: C21H28ClNO4
MW: 398.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight398.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Exact Mass398.2020698
Monoisotopic Mass398.2020698
Topological Polar Surface Area78.8 Ų
Heavy Atom Count27
Formal Charge0
Complexity397
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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