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Prasugrel - Bio-X TM

CAT: 0926-BP164290Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-BP164290Size:10 mg
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CAS Number
150322-43-3
Synonyms
2-[2- (Acetyloxy) -6,7-dihydrothieno[3,2-c]pyridin-5 (4H) -yl]-1-cyclopropyl-2- (2-fluorophenyl) ethanone
MDL Number
MFCD09954140
Smiles
CC (=O) OC1=CC2=C (S1) CCN (C2) C (C3=CC=CC=C3F) C (=O) C4CC4
Molecular Formula
C20H20FNO3S
Molecular Weight
373.44 g/mol
Controlled
No

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
Loading 3D structure...
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

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