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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

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

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

Approval Year

Unknown
139594
Patents

Patents

EP0665009A1
1
GB2211408A
1
US20040034042
1
US20100021405
1

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 Sat Dec 16 05:50:46 GMT 2023
Edited
by admin
on Sat Dec 16 05:50:46 GMT 2023
Record UNII
25738T7F7B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIISOBUTYLAMINOBENZOYLOXYPROPYL THEOPHYLLINE
JAN   WHO-DD  
Systematic 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
D09806
Code English
7-(3'-DIISOBUTYLAMINO-2'-BENZOYLOXYPROPYL)THEOPHYLLINE
Common Name English
Code System Code Type Description
ChEMBL
CHEMBL2106742
Created by admin on Sat Dec 16 05:50:46 GMT 2023 , Edited by admin on Sat Dec 16 05:50:46 GMT 2023
PRIMARY
FDA UNII
25738T7F7B
Created by admin on Sat Dec 16 05:50:46 GMT 2023 , Edited by admin on Sat Dec 16 05:50:46 GMT 2023
PRIMARY
SMS_ID
100000156988
Created by admin on Sat Dec 16 05:50:46 GMT 2023 , Edited by admin on Sat Dec 16 05:50:46 GMT 2023
PRIMARY
EVMPD
SUB131090
Created by admin on Sat Dec 16 05:50:46 GMT 2023 , Edited by admin on Sat Dec 16 05:50:46 GMT 2023
PRIMARY
CAS
102288-42-6
Created by admin on Sat Dec 16 05:50:46 GMT 2023 , Edited by admin on Sat Dec 16 05:50:46 GMT 2023
PRIMARY
EPA CompTox
DTXSID80907341
Created by admin on Sat Dec 16 05:50:46 GMT 2023 , Edited by admin on Sat Dec 16 05:50:46 GMT 2023
PRIMARY
PUBCHEM
11971452
Created by admin on Sat Dec 16 05:50:46 GMT 2023 , Edited by admin on Sat Dec 16 05:50:46 GMT 2023
PRIMARY
Related Record Type Details
Structure of DIISOBUTYLAMINOBENZOYLOXYPROPYL THEOPHYLLINE
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