PERBUFYLLINE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C23H28FN5O3
Molecular Weight	441.4985
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN1C2=C(N(CCCCN3CCC(CC3)C(=O)C4=CC=C(F)C=C4)C=N2)C(=O)N(C)C1=O

InChI

InChIKey=RUELBIYEEYFIQA-UHFFFAOYSA-N

InChI=1S/C23H28FN5O3/c1-26-21-19(22(31)27(2)23(26)32)29(15-25-21)12-4-3-11-28-13-9-17(10-14-28)20(30)16-5-7-18(24)8-6-16/h5-8,15,17H,3-4,9-14H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C23H28FN5O3
Molecular Weight	441.4985
Charge	0
Count

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

Description
Sources: https://bpspubs.onlinelibrary.wiley.com/doi/pdf/10.1111/j.1476-5381.1988.tb16615.x | https://apps.who.int/iris/bitstream/handle/10665/67830/WHO_EDM_QSM_2003.2.pdf | Elks, J. (2014) The Dictionary of Drugs: Chemical Data, page 952, retrieved from: https://books.google.ru/books?id=0vXTBwAAQBAJ

Perbufylline is a bronchodilator. It is N-methylated xanthine derivative. Perbufylline acts as a competitive antagonist at 5-HT2 and alpha1-adrenoceptors, with at least 100-fold less activity at alpha2-adrenoceptors.

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:43:56 GMT 2023` Edited by `admin` on `Fri Dec 15 15:43:56 GMT 2023`
Record UNII	M69H5TDQ1K
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PERBUFYLLINE

Official Name

English

7-(4-(4-(4-FLUOROBENZOYL)PIPERIDIN-1-YL)BUTYL)-1,3-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE

Systematic Name

English

perbufylline [INN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C744