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

Molecular Formula	C9H12N4O3
Molecular Weight	224.2166
Charge	0
Count

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

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 8146
Adenosine A1 receptor 49 Target ID: CHEMBL226 Sources: https://www.ncbi.nlm.nih.gov/pubmed/2997628 \| https://www.ncbi.nlm.nih.gov/pubmed/1652045	Antagonist 2737
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 2737

Conditions

Condition	Modality	Highest Phase	Product
Asthma 234 Sources: https://www.ncbi.nlm.nih.gov/pubmed/7325766	Primary	Approved 8307	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 171 Sources: https://www.ncbi.nlm.nih.gov/pubmed/7325766	Primary	Approved 8307	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 83 Sources: https://www.ncbi.nlm.nih.gov/pubmed/22293828	Primary	Preclinical	Unknown Approved Use Unknown

PubMed

Title	Date	PubMed
Determination of theophylline by HPLC and GC-IDMS, the effect of chemically similar xanthine derivatives on the specificity of the method and the possibility of paracetamol as interfering substance.	2002	12389716
The effects of intravenously administered methylxanthine preparations on the glycoconjugate composition of goblet cells in rabbit tracheal epithelium.	2002	11993845
Method development for determining the antibacterial linezolid in human serum by micellar electrokinetic capillary chromatography.	2002 Nov 7	12408933
The effects of intravenously administered methylxanthines on the proportion of goblet cells containing fucosylated glycoconjugates in rabbit tracheal epithelium.	2004 Feb	15032328
Investigation of the aqueous dissolution of semicrystalline poly(ethylene oxide) using infrared chemical imaging: the effects of molecular weight and crystallinity.	2005 Aug	16105205
Prediction of genotoxicity of chemical compounds by statistical learning methods.	2005 Jun	15962942
A simple and rapid HPLC/UV method for the simultaneous quantification of theophylline and etofylline in human plasma.	2007 Apr 1	17110179
Simultaneous determination of salbutamol sulphate, bromhexine hydrochloride and etofylline in pharmaceutical formulations with the use of four rapid derivative spectrophotometric methods.	2007 Jul 30	17658320
Simultaneous determination of multi drug components Theophylline, Etofylline, Guaiphenesine and Ambroxol Hydrochloride by validated RP-HPLC method in liquid dosage form.	2008 Apr	18390446
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

Substance Class	Chemical Created by `admin` on `Fri Dec 16 16:44:49 UTC 2022` Edited by `admin` on `Fri Dec 16 16:44:49 UTC 2022`
Record UNII	L164909TBI
Record Status	`Validated (UNII)`
Record Version

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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