Azonosítás

Ceftriaxone, bound form

Nincs megadva · C18H20N8O8S3

01Azonosítás

Lazychem ID	LC-34417
CAS RN	Nincs megadva
PubChem CID	138756801
Molecular formula	C18H20N8O8S3
Molecular weight	572.6 g/mol
IUPAC name	(2R)-2-[(R)-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-carboxymethyl]-5-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
InChIKey	DQDUICUGMZVNPK-KQSJCSLWSA-N

02Szerkezet és sztereokémia

Two-dimensional chemical structure of Ceftriaxone, bound form — 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	CN1C(=NC(=O)C(=O)N1)SCC2=C(N[C@H](SC2)[C@@H](C(=O)O)NC(=O)/C(=N\OC)/C3=CSC(=N3)N)C(=O)O
InChI	Nincs megadva

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.