2D structurePubChem CID 456255
Identitet
Cefamandole
CAS 34444-01-4 · C18H18N6O5S2
01Identitet
| 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 |
02Struktur og stereokemi
2D structurePubChem CID 456255
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 | Ikke angivet |
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 recordsThese records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.
2D structurePubChem CID 12853014
(7S)-Cefamandole Impurity 18
CAS not listed
OLVCFLKTBJRLHI-NORZTCDRSA-N
3 defined, 0 unassigned centres
2D structurePubChem CID 34780
2D structurePubChem CID 36831
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.
04Status i Indien
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Navne og relationer
API og moderlægemiddel
Ikke angivet
Navne og relationer
- 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
06Kilder
- S01PubChem CID 456255
Structure and machine-readable chemical identifiers.