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Details

Stereochemistry ACHIRAL
Molecular Formula C9H12N4O3
Molecular Weight 224.2166
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ETOFYLLINE

SMILES

CN1C2=C(N(CCO)C=N2)C(=O)N(C)C1=O

InChI

InChIKey=NWPRCRWQMGIBOT-UHFFFAOYSA-N
InChI=1S/C9H12N4O3/c1-11-7-6(8(15)12(2)9(11)16)13(3-4-14)5-10-7/h5,14H,3-4H2,1-2H3

HIDE SMILES / InChI

Description

Etofylline [7-(2-hydroxyethyl)theophylline] is a N-7-substituted derivative of theophylline, a smooth muscle relaxant. Etofylline is used to relieve bronchoconstriction. It may act as a phosphodiesterase inhibitor and adenosine receptor antagonist.

Originator

Lespagnol, A. et al.
2

Approval Year

Unknown
139,594

Targets

Primary TargetPharmacologyConditionPotency
phosphoric diester hydrolase activity
4
Inhibitor
8,297
Adenosine A1 receptor
50
Antagonist
2,778
Adenosine A2 receptor
7
Antagonist
2,778

Conditions

ConditionModalityTargetsHighest PhaseProduct
Asthma
241
 Primary
Approved
8,429
ETOFYLLINE
Chronic obstructive pulmonary disease
174
 Primary
Approved
8,429
ETOFYLLINE
Melanoma
88
 Primary
Preclinical
Unknown

PubMed

Sample Use Guides

In Vivo Use Guide
up to 1.5 g/day
Route of Administration: Other
In Vitro Use Guide
Unknown
ACTIVE MOIETY
Structure of ETOFYLLINE
PARENT (METABOLITE ACTIVE)
Structure of FENETHYLLINE
PARENT (METABOLITE)
Structure of DOXOFYLLINE
NIH
NCATS
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