2D structurePubChem CID 18381
Identitate
Dicloxacillin
CAS 3116-76-5 · C19H17Cl2N3O5S
01Identitate
| Lazychem ID | LC-100903 |
|---|---|
| CAS RN | 3116-76-5 |
| PubChem CID | 18381 |
| Molecular formula | C19H17Cl2N3O5S |
| Molecular weight | 470.3 g/mol |
| IUPAC name | (2S,5R,6R)-6-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
| InChIKey | YFAGHNZHGGCZAX-JKIFEVAISA-N |
02Structură și stereochimie
2D structurePubChem CID 18381
The parsed structure contains 4 rings, includes aromatic atoms, includes aliphatic carbon, has 3 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.
| Defined stereocentres | 3 |
|---|---|
| Ring count | 4 |
| Secondary amines | 0 |
| Tertiary amines | 0 |
| SMILES | CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O |
|---|---|
| InChI | Nu este indicat |
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
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.
04Statut în India
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Denumiri și relații
API și medicament părinte
Nu este indicat
Denumiri și relații
- dicloxacillin
- 3116-76-5
- Dicloxacycline
- Dicloxacilina
- Dicloxacilin
- Dicloxacilline
- Dicloxacillinum
- Maclicine
- BRL-1702
- R-13423
- Methyldichlorophenylisoxazolylpenicillin
- COF19H7WBK
06Surse
- S01PubChem CID 18381
Structure and machine-readable chemical identifiers.