Prasugrel hydroxy thiolactone

CAT: 0926-XMB50266-03Size: 25 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0926-XMB50266-03Size:25 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

947502-66-1

MDL Number

MFCD28015627

Smiles

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

Molecular Formula

C18H18FNO3S

Molecular Weight

347.4 g/mol

Controlled

Chemical Information

Desacetyl hydroxyprasugrel

CAS Number	947502-66-1
PubChem CID	59407287
IUPAC Name	5-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-7a-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-one
Molecular Formula	C18H18FNO3S
Molecular Weight	347.4
XLogP	1.6
Topological Polar Surface Area	82.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Heavy Atom Count	24
Formal Charge	0
Complexity	591

SMILES

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

InChI

InChI=1S/C18H18FNO3S/c19-14-4-2-1-3-13(14)16(17(22)11-5-6-11)20-8-7-18(23)12(10-20)9-15(21)24-18/h1-4,9,11,16,23H,5-8,10H2

InChIKey

OHANBBNBMKFHBI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 947502-66-1

CID: 59407287

Formula: C18H18FNO3S

MW: 347.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	347.4
XLogP3	1.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	347.09914277
Monoisotopic Mass	347.09914277
Topological Polar Surface Area	82.9 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	591
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
XVB35075-01	Clopidogrel thiolactone
FP10815-01	Prasugrel
CVB25292-01	Prasugrel-d5
GSB45937-01	Prasugrel chloride impurity
FD80846-01	Defluoro prasugrel hydrochloride
PQA57420-01	Prasugrel (maleic acid)
FH23842-01	DL-Homocysteine thiolactone hydrochloride
FL138522-01	L-Homocysteine thiolactone hydrochloride
BP164290	Prasugrel - Bio-X TM
THC03467-01	Descyclopropyl-2-oxopropyl prasugrel

Catalog	Name
166008	Prasugrel Hydroxy Thiolactone
AR-P02519-01	Prasugrel Thiolactone
462913-01	Prasugrel Thiolactone (Mixture of Diastereomers)
AR-P02536-01	M-Fluoro Prasugrel Thiolactone
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)
AR-P02538-01	Prasugrel alpha-Hydroxy Impurity