(+/-)-Lisofylline-d6

Basic Information

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CAS Number

1185995-26-9

Molecular Formula

C13H14D6N4O3

Molecular Weight

286.36 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

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

126-128°C

SMILES

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CC(CCCCn1c(=O)c2c(n(c1=O)C([2H])([2H])[2H])ncn2C([2H])([2H])[2H])O

InChI

InChI=1S/C13H20N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8-9,18H,4-7H2,1-3H3/i2D3,3D3

InChIKey

NSMXQKNUPPXBRG-XERRXZQWSA-N

LogP

-0.015200000000000269

Topological Polar Surface Area

82.05 Å²

Hydrogen Bond Donor/Acceptor

1 / 7

Synonyms & References

English

(+/-)-Lisofylline-d6
1-(5-hydroxyhexyl)-3,7-bis(trideuteriomethyl)purine-2,6-dione
BL 194-d6
Hydroxypentoxifylline-d6
Pentoxifylline-d6 Alcohol

MDL Number

MFCD28138633

FAQ

What are the physical and chemical properties of (+/-)-Lisofylline-d6 (CAS: 1185995-26-9)?

The physical and chemical properties of (+/-)-Lisofylline-d6 (CAS: 1185995-26-9) include a white crystalline form, a molecular weight of approximately 458.56 g/mol, good solubility in polar solvents, and moderate reactivity towards bases. It is stable under neutral to slightly acidic conditions.

How is (+/-)-Lisofylline-d6 (CAS: 1185995-26-9) typically synthesized?

Typically, (+/-)-Lisofylline-d6 (CAS: 1185995-26-9) is synthesized through a series of amide coupling reactions, utilizing a suitable catalyst such as EDC and HOBT, with good yield and selectivity. The process involves multiple steps to ensure high purity.

What industries use (+/-)-Lisofylline-d6 (CAS: 1185995-26-9)?

The pharmaceutical industry uses (+/-)-Lisofylline-d6 (CAS: 1185995-26-9) for its potential as a bronchodilator and anti-inflammatory agent. It may also be used in the research and development of new drugs for respiratory diseases.

What precautions should be taken when handling (+/-)-Lisofylline-d6 (CAS: 1185995-26-9)?

When handling (+/-)-Lisofylline-d6 (CAS: 1185995-26-9), use personal protective equipment (PPE) such as gloves and safety goggles. Store it in a cool, dry place away from direct sunlight. In case of a spill, use proper containment and disposal methods as per the Safety Data Sheet (SDS).