Azonosítás

Clopidogrel impurity 2

Nincs megadva · C16H15BrClNO2S

01Azonosítás

Lazychem ID	LC-35172
CAS RN	Nincs megadva
PubChem CID	131873419
Molecular formula	C16H15BrClNO2S
Molecular weight	400.7 g/mol
IUPAC name	methyl (2S)-2-(2-chlorophenyl)-2-(6,7-dihydrothieno[3,2-c]pyridin-5-ium-5-yl)acetate bromide
InChIKey	KEWLMQVQNGJIKW-RSAXXLAASA-M

02Szerkezet és sztereokémia

Two-dimensional chemical structure of Clopidogrel impurity 2 — 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	0

SMILES	COC(=O)[C@H](C1=CC=CC=C1Cl)[N+]2=CC3=C(CC2)SC=C3.[Br-]
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

2 records

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.