Identitet

Cloxacillin S-oxide

Ikke angivet · C19H18ClN3O6S

01Identitet

Lazychem ID	LC-41211
CAS RN	Ikke angivet
PubChem CID	44459568
Molecular formula	C19H18ClN3O6S
Molecular weight	451.9 g/mol
IUPAC name	(2S,5R,6R)-6-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-4,7-dioxo-4lambda4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
InChIKey	IIVFKZIJLAWXCY-CDUSLDLUSA-N

02Struktur og stereokemi

Two-dimensional chemical structure of Cloxacillin S-oxide — 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, has 3 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres	3
Ring count	4
Secondary amines	0
Tertiary amines	0

SMILES	CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4=O)(C)C)C(=O)O
InChI	Ikke angivet

03Stereochemistry

The published structure contains 3 defined and 1 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres3Structure assigned

Unassigned centres1Structure unspecified

Assignment statusPartially assignedExact published identity

Tetrahedral upper bound≤ 16Before 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.