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Prasugrel

CAT: 0127-PC109116-05Size: 25 gDry Ice: NoHazardous: No
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CAT#:0127-PC109116-05Size:25 g
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CAS Number
150322-43-3
Synonyms
[5-[2-cyclopropyl-1- (2-fluorophenyl) -2-oxoethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate
Purity
99%
Smiles
CC(=O)OC1=CC2=C(S1)CCN(C2)C(C3=CC=CC=C3F)C(=O)C4CC4

Chemical Information

Prasugrel

5-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl acetate is a member of the class of thienopyridines that is 2-acetoxy-4,5,6,7-tetrahydrothieno[3,2-c]pyridine in which the amino hydrogen is replaced by a 2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl group. It is a ketone, a thienopyridine, an acetate ester, a tertiary amino compound, a member of cyclopropanes and a member of monofluorobenzenes.

CAS Number150322-43-3
PubChem CID6918456
IUPAC Name[5-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate
Molecular FormulaC20H20FNO3S
Molecular Weight373.4
XLogP3.6
Topological Polar Surface Area74.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count26
Formal Charge0
Complexity555
SMILES
CC(=O)OC1=CC2=C(S1)CCN(C2)C(C3=CC=CC=C3F)C(=O)C4CC4
InChI
InChI=1S/C20H20FNO3S/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
InChIKey
DTGLZDAWLRGWQN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Prasugrel
CAS: 150322-43-3
CID: 6918456
Formula: C20H20FNO3S
MW: 373.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight373.4
XLogP33.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass373.11479284
Monoisotopic Mass373.11479284
Topological Polar Surface Area74.9 Ų
Heavy Atom Count26
Formal Charge0
Complexity555
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
A1607-5Prasugrel

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