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Merck
CN

H9006

7-(β-Hydroxyethyl)theophylline

solid

Synonym(s):

1,3-Dimethyl-7-(2-hydroxyethyl)xanthine

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About This Item

Empirical Formula (Hill Notation):
C9H12N4O3
CAS Number:
519-37-9
Molecular Weight:
224.22
NACRES:
NA.77
PubChem Substance ID:
24895836
UNSPSC Code:
41106305
EC Number:
208-269-8
MDL number:
MFCD00055055

Key Documents

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Product Name

7-(β-Hydroxyethyl)theophylline, solid

InChI key

NWPRCRWQMGIBOT-UHFFFAOYSA-N

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

SMILES string

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

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.)

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

signalword

Warning

hcodes

H302

Hazard Classifications

Acute Tox. 4 Oral

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
SLCD7594
SLBS9885
SLBQ7319V
SLBJ2159V
079K1318V

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Jainendra Kumar Jain et al.
Pakistan journal of pharmaceutical sciences, 21(2), 151-158 (2008-04-09)
The RP-HPLC (reverse phase high performance liquid chromatography) method was developed and validated for simultaneous determination of Multi drug components i.e., Theophylline, Etofylline, Guaiphenesine and Ambroxol Hydrochloride in a liquid dosage form. Chromatographic separation of the four drugs was performed
S Gupta et al.
The Indian journal of chest diseases & allied sciences, 33(1), 1-8 (1991-01-01)
Pharmacokinetics of a sustained release (SR) and conventional formulations of theophylline plus hydroxyethyltheophylline was compared with tablet aminophylline. Time concentration curve of serum theophylline with the three formulations after single and multiple dosage schedules revealed significantly retarded absorption with the
Alessandro Lentini et al.
Melanoma research, 22(2), 133-139 (2012-02-02)
Differentiation-based therapeutics are an underutilized but potentially a significant option for cancer treatment. The effect of methylxanthines on melanoma cell differentiation has been well documented. We report the in-vitro and in-vivo anticancer potential of a theophylline analogue, 7-(2-hydroxyethyl)theophylline (HET), on
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.
[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)
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