Prasugrel Impurity

CAT: 1596-AR-P02517-03Size: 50 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-P02517-03Size:50 Units

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CAS Number

1544531-41-0

Synonyms

1-cyclopropyl-2- (2-fluorophenyl) -2- ((4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl) oxy) ethanone

Molecular Formula

C18H18FNO2S

Molecular Weight

331.41

API Name

Prasugrel

Chemical Information

1-Cyclopropyl-2-(2-fluorophenyl)-2-((4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)oxy)ethanone

CAS Number	1544531-41-0
PubChem CID	68868972
IUPAC Name	1-cyclopropyl-2-(2-fluorophenyl)-2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yloxy)ethanone
Molecular Formula	C18H18FNO2S
Molecular Weight	331.4
XLogP	3.4
Topological Polar Surface Area	66.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	23
Formal Charge	0
Complexity	445

SMILES

C1CC1C(=O)C(C2=CC=CC=C2F)OC3=CC4=C(S3)CCNC4

InChI

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

InChIKey

UCXXSPITDPWCSM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1544531-41-0

CID: 68868972

Formula: C18H18FNO2S

MW: 331.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	331.4
XLogP3	3.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	331.10422815
Monoisotopic Mass	331.10422815
Topological Polar Surface Area	66.6 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	445
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-P02537-01	Prasugrel Thioacetal Impurity
AR-P02524-01	Prasugrel Acetyl Impurity
AR-P02535-01	Prasugrel Diketone Impurity
AR-P32368-01	Prasugrel EP Impurity J
AR-P02539-01	Prasugrel N-Acetyl Impurity
AR-P02538-01	Prasugrel alpha-Hydroxy Impurity
AR-P02514-01	Prasugrel EP Impurity B
AR-P32383-01	Prasugrel EP Impurity E
AR-P02504-01	Prasugrel
AR-P02505-01	Prasugrel-d4

Catalog	Name
GSB45937-01	Prasugrel chloride impurity
RM-P181915-01	Prasugrel Impurity O
RM-P181910-01	Prasugrel Impurity J
RM-P181930-01	Prasugrel Impurity 30
RM-P181906-01	Prasugrel Impurity F
RM-P181933-01	Prasugrel Impurity 33
RM-P181921-01	Prasugrel Impurity 21
RM-P181929-01	Prasugrel Impurity 29
RM-P181926-01	Prasugrel Impurity 26
sc-476639	Prasugrel Carboxyenone Impurity