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CAS No.: | 389574-19-0 |
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Name: | PRASUGREL HYDROCHLORIDE |
Molecular Structure: | |
Formula: | C20H20FNO3S.HCl |
Molecular Weight: | 409.90 |
Synonyms: | Ethanone,2-[2-(acetyloxy)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-1-cyclopropyl-2-(2-fluorophenyl)-,hydrochloride (9CI);2-Acetoxy-5-(a-cyclopropylcarbonyl-2-fluorobenzyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridinehydrochloride;LY 640315;UNII-G89JQ59I13; |
EINECS: | 627-126-4 |
Boiling Point: | 493.5 °C at 760 mmHg |
Flash Point: | 252.3 °C |
Appearance: | White to off-white solid |
PSA: | 74.85000 |
LogP: | 4.63090 |
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The Prasugrel hydrochloride, with the CAS registry number 389574-19-0, is also known as 2-[2-(Acetyloxy)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-1-cyclopropyl-2-(2-fluorophenyl)ethanone hydrochloride. This chemical's molecular formula is C20H20FNO3S.HCl and molecular weight is 409.90. Its IUPAC name is called [5-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate hydrochloride. This chemical's classification code is Inhibits Platelet Aggregation (platelet ADPP 2Y12 antagonist).
Physical properties about this chemical are: (1)ACD/LogP: 2.87; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 74.85 Å2; (7)Flash Point: 252.3 °C; (8)Enthalpy of Vaporization: 76.06 kJ/mol; (9)Boiling Point: 493.5 °C at 760 mmHg; (10)Vapour Pressure: 7.01E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)OC1=CC2=C(S1)CCN(C2)C(C3=CC=CC=C3F)C(=O)C4CC4.Cl
(2)InChI: InChI=1S/C20H20FNO3S.ClH/c1-12(23)25-18-10-14-11-22(9-8-17(14)26-18)19(20(24)13-6-7-13)15-4-2-3-5-16(15)21;/h2-5,10,13,19H,6-9,11H2,1H3;1H
(3)InChIKey: JALHGCPDPSNJNY-UHFFFAOYSA-N