Tunnistetiedot

Cefathiamidine Impurity D

Ei ilmoitettu · C17H24N4O4S2

01Tunnistetiedot

Lazychem ID	LC-35606
CAS RN	Ei ilmoitettu
PubChem CID	129010500
Molecular formula	C17H24N4O4S2
Molecular weight	412.5 g/mol
IUPAC name	[2-[[(4R,5R)-3,11-dioxo-10-oxa-6-thia-2-azatricyclo[6.3.0.02,5]undec-1(8)-en-4-yl]amino]-2-oxoethyl] N,N'-di(propan-2-yl)carbamimidothioate
InChIKey	CGKQBDIOPXYUGG-IUODEOHRSA-N

02Rakenne ja stereokemia

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

The parsed structure contains 3 rings, 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	CC(C)NC(=NC(C)C)SCC(=O)N[C@H]1[C@@H]2N(C1=O)C3=C(COC3=O)CS2
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.