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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
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

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
Sources: Lespagnol et al., Bull. Soc. Pharm. Lille 1948, no. 2, p 18
Curator's Comment: reference retrieved from www.drugfuture.com/chemdata/etofylline.html

Approval Year

Unknown
134361
Targets

Targets

Primary TargetPharmacologyConditionPotency
Inhibitor
8228
Antagonist
2760
Antagonist
2760
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Approved
8360
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
Primary
Approved
8360
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
Primary
Preclinical
Unknown

Approved Use

Unknown
PubMed

PubMed

TitleDatePubMed
The effects of intravenously administered methylxanthine preparations on the glycoconjugate composition of goblet cells in rabbit tracheal epithelium.
2002
Prediction of genotoxicity of chemical compounds by statistical learning methods.
2005 Jun
Surface-imprinted nanostructured layer-by-layer film for molecular recognition of theophylline derivatives.
2008 Oct 21
A liquid chromatography method for quantifying caffeine dissolution from pharmaceutical formulations into colloidal, fat-rich media.
2010 Jul 1

Sample Use Guides

In Vitro Use Guide
Unknown
Substance Class Chemical
Created
by admin
on Wed Jul 05 22:49:06 UTC 2023
Edited
by admin
on Wed Jul 05 22:49:06 UTC 2023
Record UNII
L164909TBI
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ETOFYLLINE
EP   INN   MART.   MI   WHO-DD  
INN  
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
USP-RS  
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
Created by admin on Wed Jul 05 22:49:06 UTC 2023 , Edited by admin on Wed Jul 05 22:49:06 UTC 2023
Code System Code Type Description
RS_ITEM_NUM
1653060
Created by admin on Wed Jul 05 22:49:06 UTC 2023 , Edited by admin on Wed Jul 05 22:49:06 UTC 2023
PRIMARY
PUBCHEM
1892
Created by admin on Wed Jul 05 22:49:06 UTC 2023 , Edited by admin on Wed Jul 05 22:49:06 UTC 2023
PRIMARY
MERCK INDEX
M5194
Created by admin on Wed Jul 05 22:49:06 UTC 2023 , Edited by admin on Wed Jul 05 22:49:06 UTC 2023
PRIMARY Merck Index
FDA UNII
L164909TBI
Created by admin on Wed Jul 05 22:49:06 UTC 2023 , Edited by admin on Wed Jul 05 22:49:06 UTC 2023
PRIMARY
CAS
519-37-9
Created by admin on Wed Jul 05 22:49:06 UTC 2023 , Edited by admin on Wed Jul 05 22:49:06 UTC 2023
PRIMARY
MESH
C008749
Created by admin on Wed Jul 05 22:49:06 UTC 2023 , Edited by admin on Wed Jul 05 22:49:06 UTC 2023
PRIMARY
INN
1667
Created by admin on Wed Jul 05 22:49:06 UTC 2023 , Edited by admin on Wed Jul 05 22:49:06 UTC 2023
PRIMARY
ChEMBL
CHEMBL699
Created by admin on Wed Jul 05 22:49:06 UTC 2023 , Edited by admin on Wed Jul 05 22:49:06 UTC 2023
PRIMARY
ECHA (EC/EINECS)
208-269-8
Created by admin on Wed Jul 05 22:49:06 UTC 2023 , Edited by admin on Wed Jul 05 22:49:06 UTC 2023
PRIMARY
EVMPD
SUB07324MIG
Created by admin on Wed Jul 05 22:49:06 UTC 2023 , Edited by admin on Wed Jul 05 22:49:06 UTC 2023
PRIMARY
EPA CompTox
DTXSID5023031
Created by admin on Wed Jul 05 22:49:06 UTC 2023 , Edited by admin on Wed Jul 05 22:49:06 UTC 2023
PRIMARY
DRUG CENTRAL
1107
Created by admin on Wed Jul 05 22:49:06 UTC 2023 , Edited by admin on Wed Jul 05 22:49:06 UTC 2023
PRIMARY
SMS_ID
100000082085
Created by admin on Wed Jul 05 22:49:06 UTC 2023 , Edited by admin on Wed Jul 05 22:49:06 UTC 2023
PRIMARY
NSC
113373
Created by admin on Wed Jul 05 22:49:06 UTC 2023 , Edited by admin on Wed Jul 05 22:49:06 UTC 2023
PRIMARY
RXCUI
24611
Created by admin on Wed Jul 05 22:49:06 UTC 2023 , Edited by admin on Wed Jul 05 22:49:06 UTC 2023
PRIMARY RxNorm
NCI_THESAURUS
C80611
Created by admin on Wed Jul 05 22:49:06 UTC 2023 , Edited by admin on Wed Jul 05 22:49:06 UTC 2023
PRIMARY
Related Record Type Details
Structure of DOXOFYLLINE
PARENT -> METABOLITE
Structure of FENETHYLLINE
PARENT -> METABOLITE ACTIVE
MINOR
URINE
Related Record Type Details
Structure of THEOPHYLLINE
PARENT -> IMPURITY
Structure of AMINOPHYLLINE
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of AMINOPHYLLINE
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
Structure of THEOPHYLLINE
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of DYPHYLLINE
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of THEOPHYLLINE ANHYDROUS
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of THEOPHYLLINE
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
Related Record Type Details
Structure of ETOFYLLINE
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