Azonosítás

Clopidogrel Impurity 53

Nincs megadva · C16H16ClNO3S

01Azonosítás

Lazychem ID	LC-38604
CAS RN	Nincs megadva
PubChem CID	71082648
Molecular formula	C16H16ClNO3S
Molecular weight	337.8 g/mol
IUPAC name	methyl (2S)-2-(2-chlorophenyl)-2-(2-oxo-3,4,6,7-tetrahydrothieno[3,2-c]pyridin-5-yl)acetate
InChIKey	AZRUDPJZBRJPHU-HNNXBMFYSA-N

02Szerkezet és sztereokémia

Two-dimensional chemical structure of Clopidogrel Impurity 53 — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 rings, includes aromatic atoms, includes aliphatic carbon, has 1 defined stereocentre, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres	1
Ring count	3
Secondary amines	0
Tertiary amines	1

SMILES	COC(=O)[C@H](C1=CC=CC=C1Cl)N2CCC3=C(C2)CC(=O)S3
InChI	Nincs megadva

03Stereochemistry

The published structure contains 1 defined and 0 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.

Defined centres1Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 2Before 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.