2D structurePubChem CID 53024
Identiteta
Cefotetan disodium
Ni navedeno · C17H15N7Na2O8S4
01Identiteta
| Lazychem ID | LC-53508 |
|---|---|
| CAS RN | Ni navedeno |
| PubChem CID | 53024 |
| Molecular formula | C17H15N7Na2O8S4 |
| Molecular weight | 619.6 g/mol |
| IUPAC name | disodium;(6R,7S)-7-[[4-(2-amino-1-carboxylato-2-oxoethylidene)-1,3-dithietane-2-carbonyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate |
| InChIKey | ZQQALMSFFARWPK-ZTQQJVKJSA-L |
02Struktura in stereokemija
2D structurePubChem CID 53024
| SMILES | CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@](C3=O)(NC(=O)C4SC(=C(C(=O)N)C(=O)[O-])S4)OC)SC2)C(=O)[O-].[Na+].[Na+] |
|---|---|
| InChI | Ni navedeno |
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 recordThese records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.
No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.
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 v Indiji
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Imena in povezave
API in matično zdravilo
Ni navedeno
Imena in povezave
06Viri
- S01PubChem CID 53024
Structure and machine-readable chemical identifiers.