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Lofexidine-d4 Hydrochloride

CAT: 0572-TRC-L469392-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-L469392-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
78302-26-8
Hazard Statement
Toxic if swallowed; UN number: UN2811; Packing Group: III
Purity
>95% (HPLC)
Smiles
[2H]C1([2H])NC(=NC1([2H])[2H])C(C)c2c(Cl)cccc2Cl
Molecular Formula
C11 2H4 H8 Cl2 N2
Molecular Weight
247.16
InChI
InChI=1S/C11H12Cl2N2/c1-7(11-14-5-6-15-11)10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15)/i5D2,6D2
Additionnal Information
IUPAC name: 4,4,5,5-tetradeuterio-2-[1-(2,6-dichlorophenyl)ethyl]-1H-imidazole
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Lofexidine-d4 Hydrochloride
CAS Number78302-26-8
PubChem CID57369873
IUPAC Name4,4,5,5-tetradeuterio-2-[1-(2,6-dichlorophenoxy)ethyl]-1H-imidazole;hydrochloride
Molecular FormulaC11H13Cl3N2O
Molecular Weight299.6
Topological Polar Surface Area33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count17
Formal Charge0
Complexity263
SMILES
[2H]C1(C(N=C(N1)C(C)OC2=C(C=CC=C2Cl)Cl)([2H])[2H])[2H].Cl
InChI
InChI=1S/C11H12Cl2N2O.ClH/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13;/h2-4,7H,5-6H2,1H3,(H,14,15);1H/i5D2,6D2;
InChIKey
DWWHMKBNNNZGHF-NXMSQKFDSA-N
Chemical Structure
2D Structure
2D structure of Lofexidine-d4 Hydrochloride
CAS: 78302-26-8
CID: 57369873
Formula: C11H13Cl3N2O
MW: 299.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight299.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass298.034453
Monoisotopic Mass298.034453
Topological Polar Surface Area33.6 Ų
Heavy Atom Count17
Formal Charge0
Complexity263
Isotope Atom Count4
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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