Identiteet

Cefoxitin Impurity 42

Pole loetletud · C16H16N2O6S2

01Identiteet

Lazychem ID	LC-53641
CAS RN	Pole loetletud
PubChem CID	31030
Molecular formula	C16H16N2O6S2
Molecular weight	396.4 g/mol
IUPAC name	(6S,7S)-3-(acetyloxymethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
InChIKey	XIURVHNZVLADCM-WFASDCNBSA-N

02Struktuur ja stereokeemia

Two-dimensional chemical structure of Cefoxitin Impurity 42 — 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 2 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	2
Ring count	3
Secondary amines	0
Tertiary amines	0

SMILES	CC(=O)OCC1=C(N2[C@H]([C@H](C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)O
InChI	Pole loetletud

03Stereochemistry

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

Defined centres2Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 4Before 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.