AG001MIN

150322-38-6 | Thieno[3,2-c]pyridin-2(4H)-one, 5-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-5,6,7,7a-tetrahydro-

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CAS Number	150322-38-6
Catalog Number	AG001MIN(AGN-PC-0Q4L4K)
Chemical Name	Thieno[3,2-c]pyridin-2(4H)-one, 5-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-5,6,7,7a-tetrahydro-
IUPAC Name	5-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2-one
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/h1-4,9,11,15,17H,5-8,10H2
InChI Key	MJAMUSZUMAHFLH-UHFFFAOYSA-N
MDL Number	MFCD00920409
Molecular Formula	C18H18FNO2S
Molecular Weight	331.4044
SMILES	O=C1C=C2CN(C(C3=CC=CC=C3F)C(C4CC4)=O)CCC2S1
Synonyms	150322-38-6, 5-(2-Cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl)-5,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2(4H)-one, 5-[2-Cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-5,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2(4H)-one, Desacetylprasugrel, 5-(2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl)-5,6,7,7a-tetrahydrothieno(3,2-c)pyridin-2(4h)-one, Prasugrel desacetyl, Thieno(3,2-C)pyridin-2(4H)-one, 5-(2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl)-5,6,7,7a-tetrahydro-, Thieno[3,2-c]pyridin-2(4H)-one, 5-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-5,6,7,7a-tetrahydro-, (R)-Prasugrel Thiolactone, SCHEMBL253435, CHEMBL3526430, SCHEMBL13249023, UNII-1F19E6097Q, CTK8B6540, DTXSID00465251, MJAMUSZUMAHFLH-UHFFFAOYSA-N, BCP12275, EBD26379, KS-00000PZ6, ANW-53618, FD7326, MFCD00920409, AKOS015899146, 1F19E6097Q, ACN-028887, RL01919, AC-25298, AK-88322, DS-18458, SC-44442, AX8229374, TC-142363, FT-0687516, ST24023721, R95913, 322C386, J-516602, I14-12020, 5-[2-Cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-5,, Prasugrel Metabolite R-95913 (Impurity IV, Mixture of Diastereomers), 5-(alpha-cyclopropylcarbonyl-2-fluorobenzyl)-2-oxo-2,4,5,6,7,7a-hexahydro thieno[3,2-c] pyridine, 5-(alpha-cyclopropylcarbonyl-2-fluorobenzyl)-2-oxo-2,4,5,6,7,7a-hexahydrothieno[3,2-c]pyridine, 5-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-5,6,7,7a-tetrahydro-thieno[3,2-c]pyridin-2(4h)-one, 5-[2-cyclopropyl-1-(2-fluorphenyl)-2-oxoethyl]-5,6,7,7a-tetrahydro-4H-thieno[3,2-c]pyridine-2-on, C18H18FNO2S, CS-O-15767, CID11416277, Prasugrel inactive metabolite (R-95913), R-95913, 4-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxo-ethyl]-9-thia-4-azabicyclo[4.3.0]non-6-en-8-one,

Complexity	545
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	331.104g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	331.405g/mol
Monoisotopic Mass	331.104g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	62.7A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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