Cefamandole

01Identita

Lazychem ID	LC-100773
CAS RN	34444-01-4
PubChem CID	456255
Molecular formula	C18H18N6O5S2
Molecular weight	462.5 g/mol
IUPAC name	(6R,7R)-7-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
InChIKey	OLVCFLKTBJRLHI-AXAPSJFSSA-N

02Struktura a stereochemie

Two-dimensional chemical structure of Cefamandole, CAS 34444-01-4 — 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 3 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	3
Ring count	4
Secondary amines	0
Tertiary amines	0

SMILES	CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)[C@@H](C4=CC=CC=C4)O)SC2)C(=O)O
InChI	Neuvedeno

03Stereochemistry

The published structure contains 3 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres3Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 8Before symmetry reduction

Published same-connectivity configurations

4 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 34444-01-4

OLVCFLKTBJRLHI-AXAPSJFSSA-N

Current configuration

(7S)-Cefamandole Impurity 18

CAS not listed

OLVCFLKTBJRLHI-NORZTCDRSA-N

3 defined, 0 unassigned centres

Cefamandole Impurity 17

CAS 144125-09-7

OLVCFLKTBJRLHI-PVXIVEMSSA-N

3 defined, 0 unassigned centres

Cefamandole Impurity 19

CAS not listed

OLVCFLKTBJRLHI-UJBKNGIVSA-N

2 defined, 1 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

Neuvedeno

Názvy a vztahy

cefamandole
34444-01-4
Cefadole
CEPHAMANDOLE
Cefamandol
Cephadole
Cefamandolum
L-Cefamandole
Compound 83405
5CKP8C2LLI
CHEBI:3480
(6R,7R)-7-(R)-Mandelamido-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-carboxylic acid

06Zdroje

S01
PubChem CID 456255
Structure and machine-readable chemical identifiers.