Identiteta

Cefazolin Impurity 107

Ni navedeno · C14H14N8O5S3

01Identiteta

Lazychem ID	LC-46412
CAS RN	Ni navedeno
PubChem CID	11167308
Molecular formula	C14H14N8O5S3
Molecular weight	470.5 g/mol
IUPAC name	(6R,7R)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-5,8-dioxo-7-[[2-(tetrazol-1-yl)acetyl]amino]-5lambda4-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid
InChIKey	JABFSJFKCHLFPL-UBVBATOISA-N

02Struktura in stereokemija

Two-dimensional chemical structure of Cefazolin Impurity 107 — 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=CS(=O)[C@@H]3[C@@H](C(=O)N3C2C(=O)O)NC(=O)CN4C=NN=N4
InChI	Ni navedeno

03Stereochemistry

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

Defined centres2Structure assigned

Unassigned centres2Structure 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.