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139755-83-2

Basic Information
CAS No.: 139755-83-2
Name: Sildenafil
Molecular Structure:
Molecular Structure of 139755-83-2 (Sildenafil)
Formula: C22H30N6O4S
Molecular Weight: 474.58
Synonyms: 4-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-9-methyl-7-propyl-3,5,8,9-tetrazabicyclo[4.3.0]nona-3,7,10-trien-2-one;Piperazine,1-[[3-(4,7-dihydro-1-methyl-7- oxo-3-propyl-1H-pyrazolo[4,3-d]pyrimidin- 5-yl)-4-ethoxyphenyl]sulfonyl]-4-methyl-;Serum Albumin Iodine;Sildenafil Mesylate;Hongdenafil (Acetildenafil);
EINECS: 200-659-6
Density: 1.39 g/cm3
Melting Point: 187-189 ºC
Boiling Point: 672.4 ºC at 760 mmHg
Flash Point: 360.5 ºC
Solubility: Slightly soluble in water, methanol; very slightly soluble in ethanol, chloroform
Appearance: White crystalline powder
Hazard Symbols: Xi,T,F
Risk Codes: 36/37/38-39/23/24/25-23/24/25-11
Safety: 22-24/25-36-26-45-36/37-16-7
Transport Information:
PSA: 121.80000
LogP: 2.56750
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History

 Sildenafil (CAS NO.139755-83-2) (compound UK-92,480) was synthesized by a group of pharmaceutical chemists working at Pfizer's Sandwich, Kent, research facility in England. It was initially studied for use in hypertension (high blood pressure) and angina pectoris (a symptom of ischaemic heart disease).

Specification

Sildenafil(CAS NO.139755-83-2), its Synonyms are 1-((3-(4,7-Dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo(4,3-d)pyrimidin-5-yl)-4-ethoxyphenyl)sulfonyl)-4-methylpiperazine; Revatio; Viagra; Piperazine, 1-((3-(4,7-dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo(4,3-d)pyrimidin-5-yl)-4-ethoxyphenyl)sulfonyl)-4-methyl-. It is a drug used to treat erectile dysfunction and pulmonary arterial hypertension (PAH). It acts by inhibiting cGMP specific phosphodiesterase type 5, an enzyme that regulates blood flow in the penis.

Physical properties about Sildenafil are: (1)ACD/LogP: 2.468; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 1.83; (4)ACD/LogD (pH 7.4): 2.45; (5)ACD/BCF (pH 5.5): 10.24 ; (6)ACD/BCF (pH 7.4): 42.36; (7)ACD/KOC (pH 5.5): 121.40; (8)ACD/KOC (pH 7.4): 502.20; (9)#H bond acceptors: 10; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Index of Refraction: 1.665; (13)Molar Refractivity: 126.026 cm3; (14)Molar Volume: 339.438 cm3; (15)Polarizability: 49.961 10-24cm3; (16)Surface Tension: 54.4710006713867 dyne/cm; (17)Density: 1.398 g/cm3; (18)Flash Point: 360.5 °C; (19)ES27:Take off immediately all contaminated clothing. nthalpy of Vaporization: 98.77 kJ/mol; (20)Boiling Point: 672.4 °C at 760 mmHg; (21)Vapour Pressure: 6.1E-18 mmHg at 25°C

When you are using Sildenafil, please be cautious about it as the following:
1. Do not breathe dust;
2. Avoid contact with skin and eyes;
3. Wear suitable protective clothing;
4. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice;

You can still convert the following datas into molecular structure:
(1)InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29) ;
(2)InChIKey=BNRNXUUZRGQAQC-UHFFFAOYSA-N; (3)Smilesc1(c2nc3c(c(=O)[nH]2)n(nc3CCC)C)c(ccc(c1)S(=O)(=O)N1CCN(CC1)C)OCC