Acetildenafil-d8

Basic Information

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CAS Number

1189944-10-2

Molecular Formula

C25H26D8N6O3

Molecular Weight

474.63 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Ethers

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

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

SMILES

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CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)C(=O)CN4CCN(CC4)CC)OCC)C

InChI

InChI=1S/C25H34N6O3/c1-5-8-19-22-23(29(4)28-19)25(33)27-24(26-22)18-15-17(9-10-21(18)34-7-3)20(32)16-31-13-11-30(6-2)12-14-31/h9-10,15H,5-8,11-14,16H2,1-4H3,(H,26,27,33)/i11D2,12D2,13D2,14D2

InChIKey

RRBRQNALHKQCAI-FUEQIQQISA-N

LogP

2.495

Topological Polar Surface Area

96.35 Å²

Hydrogen Bond Donor/Acceptor

1 / 9

Complexity

753

Synonyms & References

English

Acetildenafil-d8
A935753
5-[2-ethoxy-5-[2-(2,2,3,3,5,5,6,6-octadeuterio-4-ethylpiperazin-1-yl)acetyl]phenyl]-1-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
CS-0202622
HY-13927S
1189944-10-2
5-[2-Ethoxy-5-[2-(4-ethyl-1-piperazinyl)acetyl]phenyl]-1,6-dihydro-1-methyl -3-propyl-7H-pyrazolo[4,3-d]pyrimidin-7-one

MDL Number

MFCD28138139

FAQ

What are the physical and chemical properties of Acetildenafil-d8 (CAS: 1189944-10-2)?

Acetildenafil-d8 is a crystalline compound with a molecular weight of approximately 470.45 g/mol. It is slightly soluble in water and highly soluble in organic solvents like DMSO. It has a stable structure under normal laboratory conditions but reacts with strong bases. Its stable crystalline form allows it to be stored at room temperature away from moisture and heat.

How is Acetildenafil-d8 (CAS: 1189944-10-2) typically synthesized?

Acetildenafil-d8 is synthesized via a multi-step process starting from sildenafil and acetate. The reaction typically requires a strong base like sodium hydride and proceeds in an anhydrous solvent. The product is isolated by filtration and recrystallization to obtain the pure crystalline form. The yield is around 70%, and the reaction is highly selective.

What industries use Acetildenafil-d8 (CAS: 1189944-10-2)?

Acetildenafil-d8 is primarily used in the pharmaceutical industry for research and development purposes due to its structural similarity to sildenafil. It is also of interest in the analytical chemistry field for its derivative formation capability, which can be used in various sensing applications.

What precautions should be taken when handling Acetildenafil-d8 (CAS: 1189944-10-2)?

Proper personal protective equipment (PPE) should be worn, including gloves, goggles, and a lab coat. Work should be done in a fume hood to minimize inhalation risks. Spills should be handled by immediately containing them with absorbent materials and disposing of the waste according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed handling instructions.