Cefazolin Open Ring Delta-3

01Identita

Lazychem ID	LC-09776
CAS RN	Neuvedeno
PubChem CID	71314597
Molecular formula	C14H16N8O5S3
Molecular weight	472.52 g/mol
IUPAC name	(R)-2-((R)-(2-(1H-tetrazol-1-yl)acetamido)(carboxy)methyl)-5-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
InChIKey	VBXQTONROIFXAN-WDEREUQCSA-N

02Struktura a stereochemie

Two-dimensional chemical structure of Cefazolin Open Ring Delta-3 — 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. These statements are calculated from the published structure string.

Defined stereocentres	2
Ring count	3
Secondary amines	1
Tertiary amines	0

SMILES	CC1=NN=C(S1)SCC2=C(N[C@H](SC2)[C@@H](C(=O)O)NC(=O)CN3C=NN=N3)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

2 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.

CAS not listed

VBXQTONROIFXAN-WDEREUQCSA-N

Current configuration

Two-dimensional chemical structure of 2-[carboxy[(1H-tetrazol-1-ylacetyl)amino]methyl]-5-[[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid (cefazoloic acid)

2-[carboxy[(1H-tetrazol-1-ylacetyl)amino]methyl]-5-[[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid (cefazoloic acid)

CAS not listed

VBXQTONROIFXAN-UHFFFAOYSA-N

0 defined, 2 unassigned centres

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04Stav v Indii

Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.

05Názvy a vztahy

API a mateřské léčivo

Cefazolin

Nečistoty a související sloučeniny

Názvy a vztahy

06Zdroje

S01
PubChem CID 71314597
Structure and machine-readable chemical identifiers.