2D structurePubChem CID 9907260
Identitet
Cefaclor EP Impurity C
Nije navedeno · C15H14ClN3O4S
01Identitet
| Lazychem ID | LC-47912 |
|---|---|
| CAS RN | Nije navedeno |
| PubChem CID | 9907260 |
| Molecular formula | C15H14ClN3O4S |
| Molecular weight | 367.8 g/mol |
| IUPAC name | (6R,7R)-7-[[(2S)-2-amino-2-phenylacetyl]amino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| InChIKey | QYIYFLOTGYLRGG-IMSIIYSGSA-N |
02Struktura i stereokemija
2D structurePubChem CID 9907260
The parsed structure contains 3 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 | 3 |
| Secondary amines | 0 |
| Tertiary amines | 0 |
| SMILES | C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@H](C3=CC=CC=C3)N)C(=O)O)Cl |
|---|---|
| InChI | Nije navedeno |
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
5 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 2609
7-(2-Amino(phenyl)acetamido)-3-chloro-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid
CAS not listed
QYIYFLOTGYLRGG-UHFFFAOYSA-N
0 defined, 3 unassigned centres
2D structurePubChem CID 9930041
2D structurePubChem CID 6420015
2D structurePubChem CID 46780201
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 u Indiji
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Nazivi i povezanosti
API i matični lijek
Nije navedeno
Nazivi i povezanosti
06Izvori
- S01PubChem CID 9907260
Structure and machine-readable chemical identifiers.