Prasugrel Thiolactone

CAT: 1596-AR-P02519-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-P02519-02Size:25 Units

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CAS Number

951380-42-0

Synonyms

5- (2-cyclopropyl-1- (2-fluorophenyl) -2-oxoethyl) -4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2 (3H) -one

Molecular Formula

C20H20FNO3S

Molecular Weight

373.45

API Name

Prasugrel

Chemical Information

5-[2-Cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2(3H)-one

CAS Number	951380-42-0
PubChem CID	25160755
IUPAC Name	5-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-3,4,6,7-tetrahydrothieno[3,2-c]pyridin-2-one
Molecular Formula	C18H18FNO2S
Molecular Weight	331.4
XLogP	2.2
Topological Polar Surface Area	62.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	23
Formal Charge	0
Complexity	557

SMILES

C1CC1C(=O)C(C2=CC=CC=C2F)N3CCC4=C(C3)CC(=O)S4

InChI

InChI=1S/C18H18FNO2S/c19-14-4-2-1-3-13(14)17(18(22)11-5-6-11)20-8-7-15-12(10-20)9-16(21)23-15/h1-4,11,17H,5-10H2

InChIKey

ZIRLXIMCYJFTSB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 951380-42-0

CID: 25160755

Formula: C18H18FNO2S

MW: 331.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	331.4
XLogP3	2.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	331.10422815
Monoisotopic Mass	331.10422815
Topological Polar Surface Area	62.7 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	557
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-P29396-01	Prasugrel Hydroxy Thiolactone
AR-P02504-01	Prasugrel
AR-C03906-01	L-Homocysteine Thiolactone
AR-C03907-01	D-Homocysteine Thiolactone
AR-C03905-01	DL-Homocysteine Thiolactone
AR-P02517-01	Prasugrel Impurity
AR-P02505-01	Prasugrel-d4
AR-P02542-01	Prasugrel Impurity
AR-P32362-01	Prasugrel Impurity 30
AR-P32365-01	Prasugrel Impurity 34

Catalog	Name
166008	Prasugrel Hydroxy Thiolactone
462913-01	Prasugrel Thiolactone (Mixture of Diastereomers)
TRC-P701167-5MG	Prasugrel Thiolactone-d5 (Mixture of Diastereomers)
164806	M-Fluoro Prasugrel Thiolactone (Mixture of Diastereomers)
165787	P-Fluoro Prasugrel Thiolactone (Mixture of Diastereomers)
TRC-F595920-25MG	p-Fluoro Prasugrel Thiolactone(Mixture of Diastereomers)
TRC-F595945-250MG	m-Fluoro Prasugrel Thiolactone(Mixture of Diastereomers)
9472-50	Prasugrel
HY-15876-01	Clopidogrel thiolactone