ETOFYLLINE NICOTINATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C15H15N5O4
Molecular Weight	329.3107
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN1C2=C(N(CCOC(=O)C3=CN=CC=C3)C=N2)C(=O)N(C)C1=O

InChI

InChIKey=ZWIAODBBEZGVPY-UHFFFAOYSA-N

InChI=1S/C15H15N5O4/c1-18-12-11(13(21)19(2)15(18)23)20(9-17-12)6-7-24-14(22)10-4-3-5-16-8-10/h3-5,8-9H,6-7H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C15H15N5O4
Molecular Weight	329.3107
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 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
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 `Sat Dec 16 01:37:21 GMT 2023` Edited by `admin` on `Sat Dec 16 01:37:21 GMT 2023`
Record UNII	SN6D1V68DL
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ETOFYLLINE NICOTINATE

Common Name

English

ETOFYLLINE NICOTINATE [MI]

Common Name

English

Etofylline nicotinate [WHO-DD]

Common Name

English

Classification Tree Code System Code

WHO-ATC

C04AD04