LOFEXIDINE

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C11H12Cl2N2O
Molecular Weight	259.132
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of LOFEXIDINE

Structure Search

SMILES

CC(OC1=C(Cl)C=CC=C1Cl)C2=NCCN2

InChI

InChIKey=KSMAGQUYOIHWFS-UHFFFAOYSA-N

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)

HIDE SMILES / InChI

Molecular Formula	C11H12Cl2N2O
Molecular Weight	259.132
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 17:20:12 UTC 2023` Edited by `admin` on `Sat Dec 16 17:20:12 UTC 2023`
Record UNII	UI82K0T627
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

LOFEXIDINE

Official Name

English

LOFEXIDINE [VANDF]

Common Name

English

LOFEXIDINE [MI]

Common Name

English

1H-IMIDAZOLE, 2-(1-(2,6-DICHLOROPHENOXY)ETHYL)-4,5-DIHYDRO-

Systematic Name

English

Lofexidine [WHO-DD]

Common Name

English

2-(1-(2,6-DICHLOROPHENOXY)ETHYL)-2-IMIDAZOLINE

Systematic Name

English

lofexidine [INN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C29709

Created by admin on Sat Dec 16 17:20:13 UTC 2023 , Edited by admin on Sat Dec 16 17:20:13 UTC 2023

WHO-ATC

N07BC04

Created by admin on Sat Dec 16 17:20:13 UTC 2023 , Edited by admin on Sat Dec 16 17:20:13 UTC 2023

WHO-VATC

QN07BC04

Created by admin on Sat Dec 16 17:20:13 UTC 2023 , Edited by admin on Sat Dec 16 17:20:13 UTC 2023

Code System Code Type Description

MERCK INDEX

m6885

Created by admin on Sat Dec 16 17:20:13 UTC 2023 , Edited by admin on Sat Dec 16 17:20:13 UTC 2023

PRIMARY

Merck Index

EPA CompTox

DTXSID7023221

Created by admin on Sat Dec 16 17:20:13 UTC 2023 , Edited by admin on Sat Dec 16 17:20:13 UTC 2023

PRIMARY

FDA UNII

UI82K0T627

Created by admin on Sat Dec 16 17:20:13 UTC 2023 , Edited by admin on Sat Dec 16 17:20:13 UTC 2023

PRIMARY

DRUG CENTRAL

1593

Created by admin on Sat Dec 16 17:20:13 UTC 2023 , Edited by admin on Sat Dec 16 17:20:13 UTC 2023

PRIMARY

NCI_THESAURUS

C87578

Created by admin on Sat Dec 16 17:20:13 UTC 2023 , Edited by admin on Sat Dec 16 17:20:13 UTC 2023

PRIMARY

MESH

C025655

Created by admin on Sat Dec 16 17:20:13 UTC 2023 , Edited by admin on Sat Dec 16 17:20:13 UTC 2023

PRIMARY

ChEMBL

CHEMBL17860

Created by admin on Sat Dec 16 17:20:13 UTC 2023 , Edited by admin on Sat Dec 16 17:20:13 UTC 2023

PRIMARY

EVMPD

SUB08558MIG

Created by admin on Sat Dec 16 17:20:13 UTC 2023 , Edited by admin on Sat Dec 16 17:20:13 UTC 2023

PRIMARY

DRUG BANK

DB04948

Created by admin on Sat Dec 16 17:20:13 UTC 2023 , Edited by admin on Sat Dec 16 17:20:13 UTC 2023

PRIMARY

CAS

31036-80-3

Created by admin on Sat Dec 16 17:20:13 UTC 2023 , Edited by admin on Sat Dec 16 17:20:13 UTC 2023

PRIMARY

WIKIPEDIA

Lofexidine

Created by admin on Sat Dec 16 17:20:13 UTC 2023 , Edited by admin on Sat Dec 16 17:20:13 UTC 2023

PRIMARY

LACTMED

Lofexidine

Created by admin on Sat Dec 16 17:20:13 UTC 2023 , Edited by admin on Sat Dec 16 17:20:13 UTC 2023

PRIMARY

CHEBI

51368

Created by admin on Sat Dec 16 17:20:13 UTC 2023 , Edited by admin on Sat Dec 16 17:20:13 UTC 2023

PRIMARY

PUBCHEM

30668

Created by admin on Sat Dec 16 17:20:13 UTC 2023 , Edited by admin on Sat Dec 16 17:20:13 UTC 2023

PRIMARY

SMS_ID

100000082020

Created by admin on Sat Dec 16 17:20:13 UTC 2023 , Edited by admin on Sat Dec 16 17:20:13 UTC 2023

PRIMARY

INN

3766

Created by admin on Sat Dec 16 17:20:13 UTC 2023 , Edited by admin on Sat Dec 16 17:20:13 UTC 2023

PRIMARY

RXCUI

28863

Created by admin on Sat Dec 16 17:20:13 UTC 2023 , Edited by admin on Sat Dec 16 17:20:13 UTC 2023

PRIMARY

RxNorm

DAILYMED

UI82K0T627

Created by admin on Sat Dec 16 17:20:13 UTC 2023 , Edited by admin on Sat Dec 16 17:20:13 UTC 2023

PRIMARY

Related Record Type Details


					V47G1SDI1B

LOFEXIDINE HYDROCHLORIDE

SALT/SOLVATE -> PARENT


					50U1BO5G5P

ALPHA-2A ADRENERGIC RECEPTOR

TARGET -> AGONIST

Interaction Type:

SHORT-ACTING


					VK4SQL11C0

CYTOCHROME P450 1A2

METABOLIC ENZYME -> SUBSTRATE

Interaction Type:

MINOR


					8E4LAA4357

CYTOCHROME P450 2D6

METABOLIC ENZYME -> SUBSTRATE

Comments:

Lofexidine exposures were approximately 30% greater with co-administration of paroxetine a strong inhibitor of CYP2D6.

Interaction Type:

MAJOR


					081I12ZA58

CYTOCHROME P450 2C19

METABOLIC ENZYME -> SUBSTRATE

Interaction Type:

MINOR


					8E4LAA4357

CYTOCHROME P450 2D6

METABOLIC ENZYME -> INHIBITOR

Comments:

Interaction with CYP2D6 substrates is not expected to be clinically significant.

Interaction Type:

MINOR

Qualification:

IC50

Amount:


					6D53G0FD0Z

PLASMA PROTEIN FRACTION (HUMAN)

BINDER->LIGAND

Interaction Type:

BINDING

Amount:


					UI82K0T627

EXCRETED UNCHANGED

Comments:

The primary route of elimination of lofexidine and its metabolites was via the kidney.

Qualification:

URINE

Amount:

Related Record Type Details


					YT24TXU38S

N-(2-AMINOETHYL)-2-(2,6-DICHLOROPHENOXY)PROPANAMIDE

METABOLITE INACTIVE -> PARENT

Interaction Type:

MAJOR


					WC5DE0C9OD

2,6-DICHLOROPHENOXY-.ALPHA.-PROPIONIC ACID

METABOLITE INACTIVE -> PARENT

Interaction Type:

MAJOR

Amount:


					Q7E9K52W7E

2,6-DICHLOROPHENOL

METABOLITE INACTIVE -> PARENT

Interaction Type:

MAJOR

Amount:

Related Record Type Details


					UI82K0T627

ACTIVE MOIETY

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Tmax	PHARMACOKINETIC

Biological Half-life	PHARMACOKINETIC

Volume of Distribution	PHARMACOKINETIC