Roflumilast N-oxide

Details

Stereochemistry	ACHIRAL
Molecular Formula	C17H14Cl2F2N2O4
Molecular Weight	419.207
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[O-][N+]1=CC(Cl)=C(NC(=O)C2=CC(OCC3CC3)=C(OC(F)F)C=C2)C(Cl)=C1

InChI

InChIKey=PCGSQNPMMSALEJ-UHFFFAOYSA-N

InChI=1S/C17H14Cl2F2N2O4/c18-11-6-23(25)7-12(19)15(11)22-16(24)10-3-4-13(27-17(20)21)14(5-10)26-8-9-1-2-9/h3-7,9,17H,1-2,8H2,(H,22,24)

HIDE SMILES / InChI

Molecular Formula	C17H14Cl2F2N2O4
Molecular Weight	419.207
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Phosphodiesterase 4 54 Target ID: CHEMBL2093863 Sources: https://www.ncbi.nlm.nih.gov/pubmed/20226872	Inhibitor 8504

PubMed

Title	Date	PubMed
Roflumilast inhibits the release of chemokines and TNF-α from human lung macrophages stimulated with lipopolysaccharide.	2012 Mar	21913898

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:53:50 GMT 2025` Edited by `admin` on `Mon Mar 31 22:53:50 GMT 2025`
Record UNII	F08MQ6CZCS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-(3,5-DICHLORO-1-OXOPYRIDIN-4-YL)-4-DIFLUOROMETHOXY-3-CYCLOPROPYLMETHOXYBENZAMIDE

Preferred Name

English

Roflumilast N-oxide

Common Name

English

BYK22890

Code

English

ROFLUMILAST METABOLITE M07

Common Name

English

Code System Code Type Description

CAS

292135-78-5

Created by admin on Mon Mar 31 22:53:50 GMT 2025 , Edited by admin on Mon Mar 31 22:53:50 GMT 2025

PRIMARY

FDA UNII

F08MQ6CZCS

Created by admin on Mon Mar 31 22:53:50 GMT 2025 , Edited by admin on Mon Mar 31 22:53:50 GMT 2025

PRIMARY

EPA CompTox

DTXSID80433059

Created by admin on Mon Mar 31 22:53:50 GMT 2025 , Edited by admin on Mon Mar 31 22:53:50 GMT 2025

PRIMARY

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Amount:


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PARENT -> METABOLITE ACTIVE

Comments:

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Interaction Type:

MAJOR

Amount:

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Tmax	PHARMACOKINETIC

Biological Half-life	PHARMACOKINETIC