Identita

Cefmetazole Impurity 40

Neuvedeno · C13H15BrN6O5S2

01Identita

Lazychem ID	LC-44959
CAS RN	Neuvedeno
PubChem CID	13017845
Molecular formula	C13H15BrN6O5S2
Molecular weight	479.3 g/mol
IUPAC name	(6R,7S)-7-[(2-bromoacetyl)amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
InChIKey	SJNNZTFTVJIWGF-YPMHNXCESA-N

02Struktura a stereochemie

Two-dimensional chemical structure of Cefmetazole Impurity 40 — 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, contains at least one halogen atom. These statements are calculated from the published structure string.

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

SMILES	CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@](C3=O)(NC(=O)CBr)OC)SC2)C(=O)O
InChI	Neuvedeno

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

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.