Ταυτότητα

Cefazolin Impurity 1

Δεν αναφέρεται · C18H20N4O8S2

01Ταυτότητα

Lazychem ID	LC-33345
CAS RN	Δεν αναφέρεται
PubChem CID	163203309
Molecular formula	C18H20N4O8S2
Molecular weight	484.5 g/mol
IUPAC name	(6R,7R)-3-[[[(6R,7R)-3-(acetyloxymethyl)-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]amino]methyl]-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
InChIKey	PEIGMHGLJQAJIH-DJUAPZDMSA-N

02Δομή και στερεοχημεία

Two-dimensional chemical structure of Cefazolin Impurity 1 — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 4 rings, includes aliphatic carbon, has 4 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	4
Ring count	4
Secondary amines	1
Tertiary amines	0

SMILES	CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NCC3=C(N4[C@@H]([C@@H](C4=O)N)SC3)C(=O)O)SC1)C(=O)O
InChI	Δεν αναφέρεται

03Stereochemistry

The published structure contains 4 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres4Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully 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.