Diphylline | CAS No. 479-18-5

Diphylline

Basic Information

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CAS Number

479-18-5

Molecular Formula

C10H14N4O4

Molecular Weight

254.25 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Physical State

Powder

Melting Point

160-165 ºC

Boiling Point

589.6°C at 760 mmHg

Water Solubility

33 g/100 mL (25 ºC)

Flash Point

310.4°C

Refractive Index

1.6200 (estimate)

SMILES

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Cn1c(=O)n(C)c2ncn(CC(O)CO)c2c1=O

InChI

InChI=1S/C10H14N4O4/c1-12-8-7(9(17)13(2)10(12)18)14(5-11-8)3-6(16)4-15/h5-6,15-16H,3-4H2,1-2H3

InChIKey

KSCFJBIXMNOVSH-UHFFFAOYSA-N

LogP

-2.2130999999999985

Topological Polar Surface Area

102.28 Å²

Hydrogen Bond Donor/Acceptor

2 / 8

Complexity

364

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Sensitiveness

对光敏感

Toxicity

LD50 in mice (mg/kg): 3400 orally; 1430 s.c. (Al'tshuler)

Synonyms & References

English

diprophylline
7-(2,3-Dihydroxypropyl)theophylline
Airet
Dilor
Dyphylline
Emfaseem
Lufyllin-EPG
Neothylline
Diphylline
dihydroxypropyl theophylline
7-(2,3-dihydroxyprop-1-yl)theophylline
7-(2,3-Dihydroxypropyl)-1,3-dimethylxanthine
7-(2,3-Dihydroxypropyl)theophylline,Dyphylline
Circain
circair
Coronal
Di(2-pyridyl)ketone
Dyflex
Neufil
Teofen
tesfen
Theal
7-(2,3-Dihydroxypropyl)-1,3-dimethyl-purine-2,6-dione

MDL Number

MFCD00005759

Customs Code

2939590000

FAQ

What is Diphylline (CAS: 479-18-5)?

Diphylline is a chemical compound with the CAS number 479-18-5. It is a derivative of theophylline, commonly used in pharmaceutical applications. Its chemical formula is C14H18N4O6, and it is known for its bronchodilator properties. Diphylline is a white crystalline powder that is soluble in water and alcohol, making it suitable for various formulations.

What are the main uses of Diphylline (CAS: 479-18-5)?

Diphylline is primarily used as a bronchodilator in the treatment of respiratory conditions such as asthma and chronic obstructive pulmonary disease (COPD). It is also employed in research for studying its pharmacological effects and in industrial settings for the synthesis of other compounds. Due to its chemical properties, it may be used in drug development and as an intermediate in pharmaceutical manufacturing.

Is Diphylline (CAS: 479-18-5) safe?

Diphylline is generally considered safe when used as directed in medical and research contexts. However, it should be handled with care, as it may cause side effects such as nausea, insomnia, or heart palpitations in higher doses. Safety standards recommend proper storage and use under controlled conditions, and protective measures like gloves and eyewear should be used during handling to minimize exposure.

How should Diphylline (CAS: 479-18-5) be stored?

Diphylline should be stored in a cool, dry place away from direct light. It is typically kept in airtight containers to prevent moisture absorption and maintain stability. The recommended storage temperature is below 25°C, and humidity levels should be controlled to avoid degradation. Proper labeling and safe handling are essential to ensure its longevity and effectiveness.