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88310

Sigma-Aldrich

Theophylline-7-acetic acid

≥99.0% (T)

Sinónimos:

1,3-Dimethylxanthine-7-acetic acid

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About This Item

Fórmula empírica (notación de Hill):
C9H10N4O4
Número de CAS:
652-37-9
Peso molecular:
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

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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
Gas-liquid chromatographic determination of acephylline in urine.
J Zuidema et al.
Journal of chromatography, 182(3-4), 445-447 (1980-06-13)
K Primbs
Clinical therapeutics, 7(6), 733-736 (1985-01-01)
In an open study, 50 patients suffering from chronic obstructive pulmonary disease in an acute infectious phase were treated with ambroxol theophyllinacetate. The drug was given orally in a dosage of 100 mg BID for ten days. Viscosimetric data showed
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