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Prasugrel Impurity M

CAT: 1299-RM-P181913-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-P181913-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1443034-67-0
Synonyms
5- (1- (2-fluorophenyl) -2-oxopropyl) -4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl acetate
Molecular Formula
C18H18FNO3S
Molecular Weight
347.4
Target Alternative Name
Prasugrel
Product Name Synonym
5- (1- (2-fluorophenyl) -2-oxopropyl) -4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl acetate

Chemical Information

Descyclopropyl-2-oxopropyl Prasugrel
CAS Number1443034-67-0
PubChem CID67114858
IUPAC Name[5-[1-(2-fluorophenyl)-2-oxopropyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate
Molecular FormulaC18H18FNO3S
Molecular Weight347.4
XLogP3.1
Topological Polar Surface Area74.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count24
Formal Charge0
Complexity489
SMILES
CC(=O)C(C1=CC=CC=C1F)N2CCC3=C(C2)C=C(S3)OC(=O)C
InChI
InChI=1S/C18H18FNO3S/c1-11(21)18(14-5-3-4-6-15(14)19)20-8-7-16-13(10-20)9-17(24-16)23-12(2)22/h3-6,9,18H,7-8,10H2,1-2H3
InChIKey
FRIXUFWLNCNCHB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Descyclopropyl-2-oxopropyl Prasugrel
CAS: 1443034-67-0
CID: 67114858
Formula: C18H18FNO3S
MW: 347.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight347.4
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass347.09914277
Monoisotopic Mass347.09914277
Topological Polar Surface Area74.9 Ų
Heavy Atom Count24
Formal Charge0
Complexity489
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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