Identiteta

Cefazolin Impurity P4

Ni navedeno · C14H14N8O4S3

01Identiteta

Lazychem ID	LC-48511
CAS RN	Ni navedeno
PubChem CID	6604080
Molecular formula	C14H14N8O4S3
Molecular weight	454.5 g/mol
IUPAC name	(6S,7R)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-7-[[2-(tetrazol-1-yl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
InChIKey	MLYYVTUWGNIJIB-SKDRFNHKSA-N

02Struktura in stereokemija

Two-dimensional chemical structure of Cefazolin Impurity P4 — 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 2 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	2
Ring count	4
Secondary amines	0
Tertiary amines	0

SMILES	CC1=NN=C(S1)SCC2=C(N3[C@H]([C@@H](C3=O)NC(=O)CN4C=NN=N4)SC2)C(=O)O
InChI	Ni navedeno

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

3 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.