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H9006

Sigma-Aldrich

7-(β-Hydroxyethyl)theophylline

solid

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Synonym(s):
1,3-Dimethyl-7-(2-hydroxyethyl)xanthine
Empirical Formula (Hill Notation):
C9H12N4O3
CAS Number:
519-37-9
Molecular Weight:
224.22
EC Number:
208-269-8
MDL number:
MFCD00055055
UNSPSC Code:
41106305
PubChem Substance ID:
24895836
NACRES:
NA.77

form

solid

color

white

solubility

H2O: soluble (Solutions may be stored for several days at 4°C.)
ethanol: moderately soluble (Solutions may be stored for several days at 4°C.)

SMILES string

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

InChI

1S/C9H12N4O3/c1-11-7-6(8(15)12(2)9(11)16)13(3-4-14)5-10-7/h5,14H,3-4H2,1-2H3

InChI key

NWPRCRWQMGIBOT-UHFFFAOYSA-N

Gene Information

human ... ADORA2B(136)

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Application

Useful synthetic intermediate in the preparation of 7-substituted xanthines.

Biochem/physiol Actions

Pharmacological profile similar to theophylline.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H302

Precautionary Statements

P264 - P270 - P301 + P312 - P501

Hazard Classifications

Acute Tox. 4 Oral

WGK

WGK 3

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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B Cappello et al.
Farmaco (Societa chimica italiana : 1989), 49(12), 809-818 (1994-12-01)
Matrix properties and release behaviour of monolithic devices based on a water soluble polymer has been investigated. Polyethyleneoxides of different molecular weights have been used and different molecular weight fractions have been blended in order to tune the release mechanism.
H N Dave et al.
Analytica chimica acta, 597(1), 113-120 (2007-07-31)
Four simple, rapid, accurate, precise, reliable and economical spectrophotometric methods have been proposed for simultaneous determination of salbutamol sulphate (SS), bromhexine hydrochloride (BH) and etofylline (ET) in pure and commercial formulations without any prior separation or purification. They were first
[The mechanisms of action of etophylline-clofibrate in hyperlipidemia].
I Păduraru et al.
Revista medico-chirurgicala a Societatii de Medici si Naturalisti din Iasi, 97(1), 445-449 (1993-01-01)
J S Franzone et al.
Methods and findings in experimental and clinical pharmacology, 13(4), 289-299 (1991-05-01)
beta-HET (beta-Hydroxyethyltheophylline), the major metabolite of the antibronchospastic, antiasthmatic drug doxofylline was studied in several in vitro and in vivo trials to characterize its pharmaco-toxicological profile. When compared to the parent compound, beta-HET was found to be significantly less active.
E Hashimoto et al.
Biochemical and biophysical research communications, 204(1), 318-324 (1994-10-14)
Adenosine induced by hypoxia exerts various effects via different types of receptors. Recently, hypoxia was shown to be a strong inducer of vascular endothelial growth factor, a secreted endothelial cell specific mitogen. In this report, we studied on effects of
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