2D structurePubChem CID 44310888
Identidad
Cefditoren Impurity 40
No indicado · C19H18N6O5S3
01Identidad
| Lazychem ID | LC-41239 |
|---|---|
| CAS RN | No indicado |
| PubChem CID | 44310888 |
| Molecular formula | C19H18N6O5S3 |
| Molecular weight | 506.6 g/mol |
| IUPAC name | 7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(Z)-2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| InChIKey | KMIPKYQIOVAHOP-QOGFSKATSA-N |
02Estructura y estereoquímica
2D structurePubChem CID 44310888
The parsed structure contains 4 rings, includes aromatic atoms, includes aliphatic carbon. These statements are calculated from the published structure string.
| Defined stereocentres | 0 |
|---|---|
| Ring count | 4 |
| Secondary amines | 0 |
| Tertiary amines | 0 |
| SMILES | CC1=C(SC=N1)/C=C\C2=C(N3C(C(C3=O)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)SC2)C(=O)O |
|---|---|
| InChI | No indicado |
03Stereochemistry
The published structure contains 0 defined and 2 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.
Defined centres0Structure assigned
Unassigned centres2Structure unspecified
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 4Before 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 9870843
2D structurePubChem CID 72543801
Cefditoren Pivoxil Impurity 88
CAS not listed
KMIPKYQIOVAHOP-LWJMVPTMSA-N
2 defined, 0 unassigned centres
2D structurePubChem CID 71314602
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.
04Estado en India
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Nombres y relaciones
API y fármaco de origen
No indicado
Nombres y relaciones
06Fuentes
- S01PubChem CID 44310888
Structure and machine-readable chemical identifiers.