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Lofexidine

CAT: 0127-BUP14449-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP14449-02Size:50 mg
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CAS Number
31036-80-3
Purity
=98%
Smiles
CC(Oc1c(Cl)cccc1Cl)C1=NCCN1

Chemical Information

Lofexidine

Lofexidine is a dichlorobenzene, a member of imidazoles, a carboxamidine and an aromatic ether. It has a role as an alpha-adrenergic agonist and an antihypertensive agent.

CAS Number31036-80-3
PubChem CID30668
IUPAC Name2-[1-(2,6-dichlorophenoxy)ethyl]-4,5-dihydro-1H-imidazole
Molecular FormulaC11H12Cl2N2O
Molecular Weight259.13
XLogP2.6
Topological Polar Surface Area33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity263
SMILES
CC(C1=NCCN1)OC2=C(C=CC=C2Cl)Cl
InChI
InChI=1S/C11H12Cl2N2O/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)
InChIKey
KSMAGQUYOIHWFS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Lofexidine
CAS: 31036-80-3
CID: 30668
Formula: C11H12Cl2N2O
MW: 259.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight259.13
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass258.0326684
Monoisotopic Mass258.0326684
Topological Polar Surface Area33.6 Ų
Heavy Atom Count16
Formal Charge0
Complexity263
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T7160-01Lofexidine
C3990-500Lofexidine (hydrochloride)
T1728Lofexidine hydrochloride
TRC-L469400-1MG(S)-Lofexidine
A18151-5Lofexidine 5mg
A18151-50Lofexidine 50mg
sc-212686(R) -Lofexidine
AR-L07635-01(S) -Lofexidine
TRC-L469395-25MG(R)-Lofexidine

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