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Details

Stereochemistry ACHIRAL
Molecular Formula C17H14Cl2F2N2O4
Molecular Weight 419.2074
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ROFLUMILAST N-OXIDE

SMILES

C1CC1COc2cc(ccc2OC(F)F)C(=O)Nc3c(cn(=O)cc3Cl)Cl

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 419.2074
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
PubMed

PubMed

TitleDatePubMed
Roflumilast inhibits the release of chemokines and TNF-α from human lung macrophages stimulated with lipopolysaccharide.
2012 Mar
Patents
Substance Class Chemical
Created
by admin
on Sat Jun 26 06:04:58 UTC 2021
Edited
by admin
on Sat Jun 26 06:04:58 UTC 2021
Record UNII
F08MQ6CZCS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ROFLUMILAST N-OXIDE
Common Name English
BYK22890
Code English
N-(3,5-DICHLORO-1-OXOPYRIDIN-4-YL)-4-DIFLUOROMETHOXY-3-CYCLOPROPYLMETHOXYBENZAMIDE
Systematic Name English
ROFLUMILAST METABOLITE M07
Common Name English
Code System Code Type Description
CAS
292135-78-5
Created by admin on Sat Jun 26 06:04:58 UTC 2021 , Edited by admin on Sat Jun 26 06:04:58 UTC 2021
PRIMARY
FDA UNII
F08MQ6CZCS
Created by admin on Sat Jun 26 06:04:59 UTC 2021 , Edited by admin on Sat Jun 26 06:04:59 UTC 2021
PRIMARY
EPA CompTox
292135-78-5
Created by admin on Sat Jun 26 06:04:59 UTC 2021 , Edited by admin on Sat Jun 26 06:04:59 UTC 2021
PRIMARY
Related Record Type Details
BINDER->LIGAND
Related Record Type Details
PARENT -> METABOLITE ACTIVE
MAJOR
Name Property Type Amount Referenced Substance Defining Parameters References
Tmax PHARMACOKINETIC
Biological Half-life PHARMACOKINETIC