Tunnistetiedot

Cefathiamidine impurity

Ei ilmoitettu · C10H11BrN2O5S

01Tunnistetiedot

Lazychem ID	LC-34095
CAS RN	Ei ilmoitettu
PubChem CID	145709504
Molecular formula	C10H11BrN2O5S
Molecular weight	351.18 g/mol
IUPAC name	(6R,7R)-7-[(2-bromoacetyl)amino]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
InChIKey	QYJAMNGBFWEWGW-HZGVNTEJSA-N

02Rakenne ja stereokemia

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

The parsed structure contains 2 rings, includes aliphatic carbon, has 2 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

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

SMILES	C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CBr)C(=O)O)CO
InChI	Ei ilmoitettu

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

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.