DIISOBUTYLAMINOBENZOYLOXYPROPYL THEOPHYLLINE

Details

Stereochemistry	RACEMIC
Molecular Formula	C25H35N5O4
Molecular Weight	469.5765
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DIISOBUTYLAMINOBENZOYLOXYPROPYL THEOPHYLLINE

Structure Search

SMILES

CC(C)CN(CC(C)C)CC(CN1C=NC2=C1C(=O)N(C)C(=O)N2C)OC(=O)C3=CC=CC=C3

InChI

InChIKey=SQBWCQROZHGTAU-UHFFFAOYSA-N

InChI=1S/C25H35N5O4/c1-17(2)12-29(13-18(3)4)14-20(34-24(32)19-10-8-7-9-11-19)15-30-16-26-22-21(30)23(31)28(6)25(33)27(22)5/h7-11,16-18,20H,12-15H2,1-6H3

HIDE SMILES / InChI

Molecular Formula	C25H35N5O4
Molecular Weight	469.5765
Charge	0
Count

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

Description
Sources: https://www.genome.jp/dbget-bin/www_bget?dr:D09806 | https://www.drugfuture.com/toxic/q130-q300.html | https://patents.google.com/patent/EP0315079A1

Xanthine derivative, diisobutylaminobenzoyloxypropyl theophylline (Vestphyllin), is a vasodilator, bronchodilator.

Approval Year

Patents

Sample Use Guides

In Vivo Use Guide

mouse: LD50 intraperitoneal 1835 mg/kg mouse: LD50 intravenous 273 mg/kg mouse: LD50 oral 2 gm/kg

Route of Administration: Other

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:33:43 GMT 2025` Edited by `admin` on `Mon Mar 31 21:33:43 GMT 2025`
Record UNII	25738T7F7B
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DIISOBUTYLAMINOBENZOYLOXYPROPYL THEOPHYLLINE

Systematic Name

English

D09806

Preferred Name

English

VESTPHYLLIN

Common Name

English

1H-PURINE-2,6-DIONE, 7-(2-(BENZOYLOXY)-3-(BIS(2-METHYLPROPYL)AMINO)PROPYL)-3,7-DIHYDRO-1,3-DIMETHYL-

Systematic Name

English

DIISOBUTYLAMINOBENZOYLOXYPROPYL THEOPHYLLINE [JAN]

Common Name

English

Diisobutylaminobenzoyloxypropyl theophylline [WHO-DD]

Common Name

English

VESTPHYLLINE

Common Name

English

THEOPHYLLINE, 7-(3-(DIISOBUTYLAMINO)-2-HYDROXYPROPYL)-, BENZOATE

Systematic Name

English

TH-24

Code

English

J23.302A

Code

English

7-(3'-DIISOBUTYLAMINO-2'-BENZOYLOXYPROPYL)THEOPHYLLINE

Common Name

English

Code System Code Type Description

ChEMBL

CHEMBL2106742