2D structurePubChem CID 46780201
Identidade
Cefaclor-d5
Não indicado · C15H14ClN3O4S
01Identidade
| Lazychem ID | LC-40964 |
|---|---|
| CAS RN | Não indicado |
| PubChem CID | 46780201 |
| Molecular formula | C15H14ClN3O4S |
| Molecular weight | 372.8 g/mol |
| IUPAC name | (6R,7R)-7-[[(2R)-2-amino-2-(2,3,4,5,6-pentadeuteriophenyl)acetyl]amino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| InChIKey | QYIYFLOTGYLRGG-IMLLATIOSA-N |
02Estrutura e estereoquímica
2D structurePubChem CID 46780201
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 | [2H]C1=C(C(=C(C(=C1[2H])[2H])[C@H](C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)Cl)C(=O)O)N)[2H])[2H] |
|---|---|
| InChI | Não indicado |
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 9907260
2D structurePubChem CID 9930041
2D structurePubChem CID 6420015
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 na Índia
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Nomes e relações
API e fármaco de origem
Não indicado
Nomes e relações
06Fontes
- S01PubChem CID 46780201
Structure and machine-readable chemical identifiers.