Aitheantas

Prasugrel Impurity O

Gan liostú · C27H28FNO5S

01Aitheantas

Lazychem ID	LC-40013
CAS RN	Gan liostú
PubChem CID	57347753
Molecular formula	C27H28FNO5S
Molecular weight	497.6 g/mol
IUPAC name	2-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanylpiperidin-3-ylidene]acetic acid
InChIKey	HNPJXQKTFJGUSO-UHFFFAOYSA-N

02Struchtúr agus steiréicheimic

Two-dimensional chemical structure of Prasugrel Impurity O — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 4 rings, includes aromatic atoms, includes aliphatic carbon, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres	0
Ring count	4
Secondary amines	0
Tertiary amines	1

SMILES	COC1=CC=CC(=C1)C(=O)CSC2CCN(CC2=CC(=O)O)C(C3=CC=CC=C3F)C(=O)C4CC4
InChI	Gan liostú

03Stereochemistry

The published structure contains 0 defined and 2 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres0Structure assigned

Unassigned centres2Structure unspecified

Assignment statusUnassignedExact published identity

Tetrahedral upper bound≤ 4Before symmetry reduction

Published same-connectivity configurations

1 record

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.