88310
Theophylline-7-acetic acid
≥99.0% (T)
Synonym(s):
1,3-Dimethylxanthine-7-acetic acid
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About This Item
Empirical Formula (Hill Notation):
C9H10N4O4
CAS Number:
Molecular Weight:
238.20
Beilstein:
279221
EC Number:
MDL number:
UNSPSC Code:
12352005
PubChem Substance ID:
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)
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
Target Organs
Respiratory system
Storage Class Code
11 - Combustible Solids
WGK
WGK 2
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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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
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
Gas-liquid chromatographic determination of acephylline in urine.
J Zuidema et al.
Journal of chromatography, 182(3-4), 445-447 (1980-06-13)
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].
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:
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