MEXAFYLLINE

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C14H18N4O2
Molecular Weight	274.3183
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of MEXAFYLLINE

Structure Search

SMILES

CN1C(=O)N(CC2CCC=CC2)C3=C(NC(C)=N3)C1=O

InChI

InChIKey=ZYAHJRHHDCHNMX-UHFFFAOYSA-N

InChI=1S/C14H18N4O2/c1-9-15-11-12(16-9)18(14(20)17(2)13(11)19)8-10-6-4-3-5-7-10/h3-4,10H,5-8H2,1-2H3,(H,15,16)

HIDE SMILES / InChI

Molecular Formula	C14H18N4O2
Molecular Weight	274.3183
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Description
Sources: Milne George W.A., Drugs: Synonyms and Properties: Synonyms and Properties, retrieved from: https://books.google.ru/books?id=xUlaDwAAQBAJ&pg=PT1247&lpg=PT1247&dq=MEXAFYLLINE&source=bl&ots=Cnz2oOhEaV&sig=ACfU3U1E8bNEzA9wEWWJ8weRFRGptPHuSw&hl=ru&sa=X&ved=2ahUKEwjfr5eDodXiAhXwpIsKHfCLCbQ4ChDoATAIegQICBAB#v=onepage&q=MEXAFYLLINE&f=false

Mexafylline, a theophylline derivative, is a bronchodilator that has never been marketed.

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 08:58:44 GMT 2025` Edited by `admin` on `Wed Apr 02 08:58:44 GMT 2025`
Record UNII	OTS2XT15W3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

mexafylline [INN]

Preferred Name

English

MEXAFYLLINE

Official Name

English

3-(3-CYCLOHEXEN-1-YLMETHYL)-1,8-DIMETHYLXANTHINE

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C319

Created by admin on Wed Apr 02 08:58:44 GMT 2025 , Edited by admin on Wed Apr 02 08:58:44 GMT 2025

Code System Code Type Description

EVMPD

SUB08928MIG

Created by admin on Wed Apr 02 08:58:44 GMT 2025 , Edited by admin on Wed Apr 02 08:58:44 GMT 2025

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FDA UNII

OTS2XT15W3

Created by admin on Wed Apr 02 08:58:44 GMT 2025 , Edited by admin on Wed Apr 02 08:58:44 GMT 2025

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EPA CompTox

DTXSID40868565

Created by admin on Wed Apr 02 08:58:44 GMT 2025 , Edited by admin on Wed Apr 02 08:58:44 GMT 2025

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NCI_THESAURUS

C87683

Created by admin on Wed Apr 02 08:58:44 GMT 2025 , Edited by admin on Wed Apr 02 08:58:44 GMT 2025

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SMS_ID

100000081158

Created by admin on Wed Apr 02 08:58:44 GMT 2025 , Edited by admin on Wed Apr 02 08:58:44 GMT 2025

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PUBCHEM

3047743

Created by admin on Wed Apr 02 08:58:44 GMT 2025 , Edited by admin on Wed Apr 02 08:58:44 GMT 2025

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ChEMBL

CHEMBL2106912

Created by admin on Wed Apr 02 08:58:44 GMT 2025 , Edited by admin on Wed Apr 02 08:58:44 GMT 2025

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CAS

80294-25-3

Created by admin on Wed Apr 02 08:58:44 GMT 2025 , Edited by admin on Wed Apr 02 08:58:44 GMT 2025

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INN

5201

Created by admin on Wed Apr 02 08:58:44 GMT 2025 , Edited by admin on Wed Apr 02 08:58:44 GMT 2025

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