ETOFYLLINE

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 Search

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
Sources: https://www.drugs.com/international/etofylline.html | https://www.lybrate.com/medicine/etofylline | https://www.ncbi.nlm.nih.gov/pubmed/2997628 | https://www.ncbi.nlm.nih.gov/pubmed/1652045

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

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
phosphoric diester hydrolase activity 4 Target ID: GO:0008081 Sources: https://www.ncbi.nlm.nih.gov/pubmed/1652045 \| https://www.drugs.com/international/etofylline.html	Inhibitor 8297
Adenosine A1 receptor 50 Target ID: CHEMBL226 Sources: https://www.ncbi.nlm.nih.gov/pubmed/2997628 \| https://www.ncbi.nlm.nih.gov/pubmed/1652045	Antagonist 2778
Adenosine A2 receptor 7 Target ID: CHEMBL2094257 Sources: https://www.ncbi.nlm.nih.gov/pubmed/2997628 \| https://www.ncbi.nlm.nih.gov/pubmed/1652045	Antagonist 2778

Conditions

Condition	Modality	Highest Phase	Product
Asthma 241 Sources: https://www.ncbi.nlm.nih.gov/pubmed/7325766	Primary	Approved 8429	ETOFYLLINE Approved Use 1. Asthma 2. Chronic obstructive pulmonary disease 3. Chronic bronchitis 4. Emphysema 5. It can be used in premature infants who stop breathing
Chronic obstructive pulmonary disease 174 Sources: https://www.ncbi.nlm.nih.gov/pubmed/7325766	Primary	Approved 8429	ETOFYLLINE Approved Use 1. Asthma 2. Chronic obstructive pulmonary disease 3. Chronic bronchitis 4. Emphysema 5. It can be used in premature infants who stop breathing
Melanoma 88 Sources: https://www.ncbi.nlm.nih.gov/pubmed/22293828	Primary	Preclinical	Unknown Approved Use Unknown

PubMed

Title	Date	PubMed
Method development for determining the antibacterial linezolid in human serum by micellar electrokinetic capillary chromatography.	2002 Nov 7	12408933
Prediction of genotoxicity of chemical compounds by statistical learning methods.	2005 Jun	15962942
Surface-imprinted nanostructured layer-by-layer film for molecular recognition of theophylline derivatives.	2008 Oct 21	18788771
A liquid chromatography method for quantifying caffeine dissolution from pharmaceutical formulations into colloidal, fat-rich media.	2010 Jul 1	20483672

Sample Use Guides

In Vivo Use Guide

up to 1.5 g/day

Route of Administration: Other

In Vitro Use Guide

Unknown

Name

Type

Language

ETOFYLLINE

Official Name

English

7-(2-HYDROXYETHYL)THEOPHYLLINE

Systematic Name

English

THEOPHYLLINE MONOHYDRATE IMPURITY F [EP IMPURITY]

Common Name

English

THEOPHYLLINE RELATED COMPOUND F [USP IMPURITY]

Common Name

English

ETOFYLLINE [MI]

Common Name

English

FREKAPHYLLIN

Common Name

English

KT-200G

Code

English

THEOPHYLLINE RELATED COMPOUND F

Common Name

English

DOXOPHYLLINE METABOLITE M4

Common Name

English

NSC-113373

Code

English

Etofylline [WHO-DD]

Common Name

English

SOLUPHYLLINE

Common Name

English

THEOPHYLLINE RELATED COMPOUND F [USP-RS]

Common Name

English

PHYLLOCORMIN N

Common Name

English

OXYPHYLLIN

Brand Name

English

ETOFYLLINE [EP IMPURITY]

Common Name

English

ETOFYLLINE [MART.]

Common Name

English

7-(2-HYDROXYETHYL)-1,3-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE

Systematic Name

English

DIPROPHYLLINE IMPURITY C [EP IMPURITY]

Common Name

English

THEOPHYLLINE IMPURITY F [EP IMPURITY]

Common Name

English

etofylline [INN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C744