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Home> Encyclopedia > Hot Product Listed 7   > 7H-Pyrazolo[4,3-d]pyrimidin-7-one,5-[2-ethoxy-5-[2-(4-ethyl-1-piperazinyl)acetyl]phenyl]-1,6-dihydro...
831217-01-7 structure

7H-Pyrazolo[4,3-d]pyrimidin-7-one,5-[2-ethoxy-5-[2-(4-ethyl-1-piperazinyl)acetyl]phenyl]-1,6-dihydro-1-methyl-3-propyl-

CAS No.:831217-01-7
Molecular Formula:C25H34N6O3 (isomer)
Names and Identifiers
Synonyms

5-[2-ethoxy-5-[2-(4-ethylpiperazin-1-yl)acetyl]phenyl]-1-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one 7H-Pyrazolo[4,3-d]pyrimidin-7-one,5-[2-ethoxy-5-[(4-ethyl-1-piperazinyl)acetyl]phenyl]-1,4-dihydro-1-methyl-3-propyl-(9CI) Hongdenafil

Properties
Appearance
Off-White to Pale Yelow Solid
Density
1.28
Melting Point
131-133°C
Safety and Handling
Specification

The Acetildenafil, with the CAS registry number 831217-01-7, has the systematic name of 5-[2-ethoxy-5-[2-(4-ethylpiperazin-1-yl)acetyl]phenyl]-1-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one. It is a kind of off-white to pale yelow solid, and belongs to the folowing product categories: All Inhibitors; Bases & Related Reagents; Inhibitors; Intermediates & Fine Chemicals; Nucleotides; Pharmaceuticals. And the molecular formula of the chemical is C25H34N6O3.

The characteristics of Acetildenafil are as followings: (1)ACD/LogP: 2.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.608; (4)ACD/LogD (pH 7.4): 2.249; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 24.227; (7)ACD/KOC (pH 5.5): 6.022; (8)ACD/KOC (pH 7.4): 263.178; (9)#H bond acceptors: 9; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 92.06 Å2; (13)Index of Refraction: 1.637; (14)Molar Refractivity: 130.952 cm3; (15)Molar Volume: 364.641 cm3; (16)Polarizability: 51.913×10-24cm3; (17)Surface Tension: 48.548 dyne/cm; (18)Density: 1.28 g/cm3.  

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CCCc1c2c(c(=O)[nH]c(n2)c3cc(ccc3OCC)C(=O)CN4CCN(CC4)CC)n(n1)C
(2)InChI: InChI=1/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)
(3)InChIKey: RRBRQNALHKQCAI-UHFFFAOYAK

MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

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