Skip to Content
MilliporeSigma
All Photos(1)

Documents

88310

Sigma-Aldrich

Theophylline-7-acetic acid

≥99.0% (T)

Synonym(s):

1,3-Dimethylxanthine-7-acetic acid

Sign Into View Organizational & Contract Pricing
All Photos(1)

About This Item

Empirical Formula (Hill Notation):
C9H10N4O4
CAS Number:
652-37-9
Molecular Weight:
238.20
Beilstein/REAXYS Number:
279221
EC Number:
211-490-2
MDL number:
MFCD00022832
UNSPSC Code:
12352005
PubChem Substance ID:
57653298
NACRES:
NA.22

assay

≥99.0% (T)

form

powder

SMILES string

CN1C(=O)N(C)c2ncn(CC(O)=O)c2C1=O

InChI

1S/C9H10N4O4/c1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15/h4H,3H2,1-2H3,(H,14,15)

InChI key

HCYFGRCYSCXKNQ-UHFFFAOYSA-N

Gene Information

human ... ADORA2B(136)

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk_germany

WGK 2

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

G Grosa et al.
Drug metabolism and disposition: the biological fate of chemicals, 14(2), 267-270 (1986-03-01)
The metabolic transformation of the bronchospasmolytic agent doxophylline (2-(7'-theophyllinemethyl)-1,3-dioxolane) was studied in vitro with phenobarbital-induced rat liver microsomal fraction containing the NADPH-generating system. Doxophylline was poorly metabolized as 95% of the recovered material was parent compound. The major metabolite resulted:
C Ferretti et al.
International journal of tissue reactions, 14(1), 31-36 (1992-01-01)
It is assumed that theophylline (THEO) and its xanthinic derivatives inhibit lung phosphodiesterase (PDE) and block adenosine receptors in the induction of bronchodilatation. Since the theophyllinic compound ambroxol-theophylline-7-acetic acid (ATA) has been shown in vivo to be a sound bronchodilator
G Dănilă et al.
Revista medico-chirurgicala a Societatii de Medici si Naturalisti din Iasi, 94(3-4), 581-586 (1990-10-01)
Some esters of 7-theophyllinylacetic acid were synthetized, characterized physicochemically and tested for their anti-inflammatory properties. As compared to indomethacin, reference anti-inflammatory drug, all synthetized compounds were less toxic. The anti-inflammatory properties are influenced by the nature of the ester group
Alaa El-Gindy et al.
Journal of pharmaceutical and biomedical analysis, 43(3), 973-982 (2006-10-19)
Three methods are developed for the determination of two multicomponent mixtures containing guaiphenesine (GU) with salbutamol sulfate (SL), methylparaben (MP) and propylparaben (PP) [mixture 1]; and acephylline piperazine (AC) with bromhexine hydrochloride (BX), methylparaben (MP) and propylparaben (PP) [mixture 2].
T Ooya et al.
Journal of controlled release : official journal of the Controlled Release Society, 58(3), 251-269 (1999-04-01)
Theophylline-polyrotaxane conjugates were synthesized by coupling theophylline with alpha-cyclodextrins (alpha-CDs) in the polyrotaxane. The polyrotaxane is a molecular assembly in which many alpha-CDs are threaded onto a poly(ethylene glycol) (PEG) chain capped with L-phenylalanine (L-Phe). Theophylline-7-acetic acid was activated by
View All Related Papers

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service