Cas no 1216630-06-6 (Medetomidine-13C,d3 Hydrochloride)

Medetomidine-13C,d3 Hydrochloride structure
1216630-06-6 structure
Product Name:Medetomidine-13C,d3 Hydrochloride
CAS No:1216630-06-6
MF:C13H17ClN2
MW:240.751621961594
CID:1060996
PubChem ID:57347593
Update Time:2025-04-20

Medetomidine-13C,d3 Hydrochloride Chemical and Physical Properties

Names and Identifiers

    • Medetomidine-13C,d3 Hydrochloride
    • Medetomidine-13C,d3
    • 5-[2,2,2-trideuterio-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole,hydrochloride
    • DTXSID70721477
    • 1216630-06-6
    • Medetomidine-13C-d3 (hydrochloride)
    • 4-[2,2,2-Trideuterio-1-(2,3-dimethylphenyl)ethyl-2-13C]-3H-imidazole hydrochloride; Medetomidine-13C,d3 hydrochloride; Medetomidine-13C,D3 hydrochloride (ethyl-2-13C,2,2,2-D3); Zalopine-13C,d3; 5-[1-(2,3-Dimethylphenyl)ethyl-2-13C,2,2,2-d3]-1H-imidazole hydrochloride; 4-(1-(2,3-Dimethylphenyl)ethyl-2-13C,2,2,2-d3)-1H-imidazole hydrochloride
    • 5-[1-(2,3-Dimethylphenyl)(2-~13~C,2,2,2-~2~H_3_)ethyl]-1H-imidazole--hydrogen chloride (1/1)
    • 5-[2,2,2-trideuterio-1-(2,3-dimethylphenyl)(213C)ethyl]-1H-imidazole;hydrochloride
    • CS-0436991
    • HY-17034BS1
    • Medetomidine-13C,d3 (hydrochloride)
    • Inchi： 1S/C13H16N2.ClH/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13;/h4-8,11H,1-3H3,(H,14,15);1H/i3+1D3;
    • InChI Key： VPNGEIHDPSLNMU-RWALGPICSA-N
    • SMILES： Cl.N1C=NC=C1C([13C]([2H])([2H])[2H])C1C=CC=C(C)C=1C

Computed Properties

  • Exact Mass: 240.13000
  • Monoisotopic Mass: 240.1302113g/mol
  • Isotope Atom Count: 4
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 205
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 28.7?2

Experimental Properties

  • Melting Point: 162-164°C
  • PSA: 28.68000
  • LogP: 3.98030

Medetomidine-13C,d3 Hydrochloride Pricemore >>

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