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Merck
CN

PHL82668

Theophylline

phyproof® Reference Substance

Synonym(s):

1,3-Dimethylxanthine, 2,6-Dihydroxy-1,3-dimethylpurine, 3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dione

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About This Item

Empirical Formula (Hill Notation):
C7H8N4O2
CAS Number:
Molecular Weight:
180.16
NACRES:
NA.24
UNSPSC Code:
41116107
Beilstein/REAXYS Number:
13463
MDL number:
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grade

primary reference standard

product line

phyproof® Reference Substance

assay

≥98.0% (HPLC)

form

powder

manufacturer/tradename

PhytoLab

SMILES string

CN1C(=O)N(C)c2[nH]cnc2C1=O

InChI

1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)

InChI key

ZFXYFBGIUFBOJW-UHFFFAOYSA-N

General description

This substance is a primary reference substance with assigned absolute purity (considering chromatographic purity, water, residual solvents, inorganic impurities). The exact value can be found on the certificate. Produced by PhytoLab GmbH & Co. KG

Biochem/physiol Actions

Phosphodiesterase inhibitor; diuretic; cardiac stimulant; muscle relaxant; asthma medication.

Legal Information

phyproof is a registered trademark of PhytoLab GmbH & Co. KG


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pictograms

Skull and crossbonesHealth hazard

signalword

Danger

Hazard Classifications

Acute Tox. 3 Oral - Repr. 1B

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk

WGK 1

flash_point_f

Not applicable

flash_point_c

Not applicable

Regulatory Information

涉药品监管产品

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