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5-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-2-yl acetate hydrochloride
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ChemBase ID:
176860
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Molecular Formular:
C20H21ClFNO3S
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Molecular Mass:
409.9020432
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Monoisotopic Mass:
409.09147044
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SMILES and InChIs
SMILES:
Cl.c1ccc(c(c1)C(N1CCc2c(C1)cc(s2)OC(=O)C)C(=O)C1CC1)F
Canonical SMILES:
CC(=O)Oc1sc2c(c1)CN(CC2)C(c1ccccc1F)C(=O)C1CC1.Cl
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
InChIKey:
JALHGCPDPSNJNY-UHFFFAOYSA-N
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Cite this record
CBID:176860 http://www.chembase.cn/molecule-176860.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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5-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-2-yl acetate hydrochloride
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IUPAC Traditional name
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Synonyms
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2-[2-(Acetyloxy)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-1-cyclopropyl-2-(2-fluorophenyl)ethanone Hydrochloride
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CS 747
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Effient
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LY 640315
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Prasugrel Hydrochloride(Discontinued)
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CAS Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
Data Source
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Data ID
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Price
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TRC
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CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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14.248824
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H Acceptors
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3
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H Donor
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0
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LogD (pH = 5.5)
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4.0139766
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LogD (pH = 7.4)
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4.3019633
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Log P
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4.3072057
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Molar Refractivity
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96.8121 cm3
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Polarizability
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37.506584 Å3
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Polar Surface Area
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46.61 Å2
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Rotatable Bonds
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6
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Lipinski's Rule of Five
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true
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DETAILS
DETAILS
TRC
Toronto Research Chemicals -
P701150
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A novel antiplatelet agent; it is a third-generation thienopyridine. Antiplatelet agent Prasugrel showed greater platelet inhibition and decreased incidence of ischemic events than Clopidogrel but may induce increased incidence of bleeding in patient with |
REFERENCES
REFERENCES
From Suppliers
Google Scholar
PubMed
Google Books
- • Von Beckerath, N., et al.: Circulation, 112, 2946 (2005)
- • Jernberg, T., et al.: Eur. Heart J., 27, 1166 (2005)
- • Farid, N., et al.: Drug Metab. Dispos., 35, 1096 (2005)
- • Farid, N., et al.: Clin. Pharmacol. Ther., 81, 735 (2005)
- • Jakubowski, J., et al.: J.
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PATENTS
PATENTS
PubChem Patent
Google Patent