2-Desacetoxy Prasugrel - CAS 201049-78-7

Catalog:	BB062730
Product Name:	2-Desacetoxy Prasugrel
CAS:	201049-78-7
Synonyms:	1-Cyclopropyl-2-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)-2-(2-fluorophenyl)-ethanone; 5-[α-(Cyclopropylcarbonyl)-2-fluorobenzyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

Technical Data

IUPAC Name:	1-cyclopropyl-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2-fluorophenyl)ethanone
Description:	2-Desacetoxy Prasugrel is a useful synthetic intermediate in the synthesis of Prasugrel (P701150, HCl); an antiplatelet agent.
Molecular Weight:	315.41
Molecular Formula:	C18H18FNOS
Canonical SMILES:	C1CC1C(=O)C(C2=CC=CC=C2F)N3CCC4=C(C3)C=CS4
InChI:	InChI=1S/C18H18FNOS/c19-15-4-2-1-3-14(15)17(18(21)12-5-6-12)20-9-7-16-13(11-20)8-10-22-16/h1-4,8,10,12,17H,5-7,9,11H2
InChI Key:	IOMHWIMJPRFWTO-UHFFFAOYSA-N
References:	Wiviott, S.D., et al. Circulation, 116, 2923 (2007); Satyanarayana Reddy, M., et al. PCT Int. Appl. WO 2011042918 A2 20110414. Apr 14, 2011; Zhu, G., et al. Faming Zhuanli Shenqing. CN 101531667 A 20090916. Sep 16, 2009.

Complexity:	427
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	315.10931353
Formal Charge:	0
Heavy Atom Count:	22
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	315.10931353
Rotatable Bond Count:	4
Topological Polar Surface Area:	48.6Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	3.5