Products for Research Use Only

5-Hydroxy Propafenone Hydrochloride-d5

CAT: 0572-TRC-H952453-1MGSize: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0572-TRC-H952453-1MGSize:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1188265-48-6
Synonyms
1-[5-Hydroxy-2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-(phenyl-2,3,4,5,6-d5)-1-propanone Hydrochloride; GPV 129-d5;
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
Cl.[2H]c1c([2H])c([2H])c(CCC(=O)c2cc(O)ccc2OCC(O)CNCCC)c([2H])c1[2H]
Molecular Formula
C21H23D5ClNO4
Molecular Weight
398.94
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

5-Hydroxy Propafenone Hydrochloride-d5
CAS Number1188265-48-6
PubChem CID45359078
IUPAC Name1-[5-hydroxy-2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-(2,3,4,5,6-pentadeuteriophenyl)propan-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]C1=C(C(=C(C(=C1[2H])[2H])CCC(=O)C2=C(C=CC(=C2)O)OCC(CNCCC)O)[2H])[2H].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/i3D,4D,5D,6D,7D;
InChIKey
FAYLNKVZLXBDBE-BQAHAFBHSA-N
Chemical Structure
2D Structure
2D structure of 5-Hydroxy Propafenone Hydrochloride-d5
CAS: 1188265-48-6
CID: 45359078
Formula: C21H28ClNO4
MW: 398.9
Interactive 3D Structure
Loading 3D structure...
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