1-(3-CARBOXYPROPYL)THEOBROMINE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C11H14N4O4
Molecular Weight	266.2533
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-(3-CARBOXYPROPYL)THEOBROMINE

Structure Search

SMILES

CN1C=NC2=C1C(=O)N(CCCC(O)=O)C(=O)N2C

InChI

InChIKey=WKASGTGXOGALBG-UHFFFAOYSA-N

InChI=1S/C11H14N4O4/c1-13-6-12-9-8(13)10(18)15(11(19)14(9)2)5-3-4-7(16)17/h6H,3-5H2,1-2H3,(H,16,17)

HIDE SMILES / InChI

Approval Year

PubMed

Title	Date	PubMed
Pentoxifylline and its major oxidative metabolites exhibit different pharmacological properties.	2006 Mar 27	16545799
Effects of pentoxifylline and its metabolites on platelet aggregation in whole blood from healthy humans.	2008 Mar 10	18155691

Name

Type

Language

1-(3-CARBOXYPROPYL)THEOBROMINE

Systematic Name

English

PENTOXIFYLLINE METABOLITE M5

Common Name

English

1-(3-CARBOXYPROPYL)-3,7-DIMETHYLXANTHINE

Systematic Name

English

1-(3'-CARBOXYPROPYL)-3,7-DIMETHYLXANTHINE

Common Name

English

1-(3-CARBOXYPROPYL)3,7-DIMETHYLXANTINE

Common Name

English

1H-PURINE-1-BUTANOIC ACID, 2,3,6,7-TETRAHYDRO-3,7-DIMETHYL-2,6-DIOXO-

Common Name

English

3,7-DIMETHYL-1-(3-CARBOXYPROPYL)XANTHINE

Systematic Name

English

Code System Code Type Description

CAS

6493-07-8

Created by admin on Sat Dec 16 06:51:55 GMT 2023 , Edited by admin on Sat Dec 16 06:51:55 GMT 2023

PRIMARY

FDA UNII

B88HVM1NMZ

Created by admin on Sat Dec 16 06:51:55 GMT 2023 , Edited by admin on Sat Dec 16 06:51:55 GMT 2023

PRIMARY

EPA CompTox

DTXSID40215232

Created by admin on Sat Dec 16 06:51:55 GMT 2023 , Edited by admin on Sat Dec 16 06:51:55 GMT 2023

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PUBCHEM

151419

Created by admin on Sat Dec 16 06:51:55 GMT 2023 , Edited by admin on Sat Dec 16 06:51:55 GMT 2023

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PARENT (METABOLITE ACTIVE)


					SD6QCT3TSU

PENTOXIFYLLINE

SUBSTANCE RECORD


					B88HVM1NMZ

1-(3-CARBOXYPROPYL)THEOBROMINE