1,3-Dimethyl-3,7-dihydro-1H-purine-2,6-dione hydrate (1:1)

Basic Information

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CAS Number

5967-84-0

Molecular Formula

C7H10N4O3

Molecular Weight

198.18 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

Melting Point

270-274°C

Water Solubility

Soluble in water (8 g/L at 20°C).

SMILES

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CN1C2=C(C(=O)N(C1=O)C)NC=N2.O

InChI

InChI=1S/C7H8N4O2.H2O/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;/h3H,1-2H3,(H,8,9);1H2

InChIKey

INQSMEFCAIHTJG-UHFFFAOYSA-N

LogP

-1.8643999999999994

Topological Polar Surface Area

104.18 Å²

Hydrogen Bond Donor/Acceptor

3 / 7

Complexity

267

Safety Information

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Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

THEOPHYLLINE 0.04% AND DEXTROSE 5% IN PLASTIC CONTAINER
THEOPHYLLINE COMPONENT OF DICURIN PROCAINE
SCHEMBL387338
1,3-dimethyl-7H-purine-2,6-dione;hydrate
THEOPHYLLINE [II]
AKOS015960702
5967-84-0
Theophylline (monohydrate)
Quibron Plus
AC-33575
DIPROPHYLLINE IMPURITY B [EP IMPURITY]
THEOPHYLLINE 0.4% AND DEXTROSE 5% IN PLASTIC CONTAINER
CHEMBL1355736
MFCD00151659
1,3-Dimethyl-1H-purine-2,6(3H,7H)-dione hydrate
AEROLATE JR
CAFFEINE IMPURITY A [EP IMPURITY]
HY-B0809A
1,3-Dimethylxanthine monohydrate
Theo-24
THEOCLEAR-100
1,3-Dimethyl-1H-purine-2,6(3H,7H)-dionehydrate
THEOPHYLLINE [ORANGE BOOK]
HMS1570P07
Theolair-SR
SR-01000075195-6
THEOPHYLLINE [EP IMPURITY]
THEOPHYLLINE 0.2% AND DEXTROSE 5% IN PLASTIC CONTAINER
Theophyllinemonohydrate
C137DTR5RG
THEOPHYLLINE 0.16% AND DEXTROSE 5% IN PLASTIC CONTAINER

MDL Number

MFCD00151659

Customs Code

2933990090

FAQ

What is 1,3-Dimethyl-3,7-dihydro-1H-purine-2,6-dione hydrate (CAS: 5967-84-0)?

1,3-Dimethyl-3,7-dihydro-1H-purine-2,6-dione hydrate (CAS: 5967-84-0) is a purine derivative with a hydrate structure. It is used in pharmaceuticals and research for its biological activity and stability.

What are the main uses of 1,3-Dimethyl-3,7-dihydro-1H-purine-2,6-dione hydrate (CAS: 5967-84-0)?

1,3-Dimethyl-3,7-dihydro-1H-purine-2,6-dione hydrate (CAS: 5967-84-0) is primarily used in pharmaceutical research for developing drugs that target specific biological pathways. It is also utilized in biochemical studies and as a reagent in synthetic chemistry.

Is 1,3-Dimethyl-3,7-dihydro-1H-purine-2,6-dione hydrate (CAS: 5967-84-0) safe?

1,3-Dimethyl-3,7-dihydro-1H-purine-2,6-dione hydrate (CAS: 5967-84-0) is generally considered safe for laboratory use, but proper handling and storage are essential. It should be kept away from heat and flame sources, and appropriate protective gear should be worn during handling.

How should 1,3-Dimethyl-3,7-dihydro-1H-purine-2,6-dione hydrate (CAS: 5967-84-0) be stored?

1,3-Dimethyl-3,7-dihydro-1H-purine-2,6-dione hydrate (CAS: 5967-84-0) should be stored in a cool, dry place away from direct sunlight and heat sources. It is recommended to keep it in a tightly sealed container to prevent moisture absorption. Storing at temperatures below 25°C is ideal to maintain its stability.