2D structurePubChem CID 127527
Identité
Cefbuperazone
CAS 76610-84-9 · C22H29N9O9S2
01Identité
| Lazychem ID | LC-100778 |
|---|---|
| CAS RN | 76610-84-9 |
| PubChem CID | 127527 |
| Molecular formula | C22H29N9O9S2 |
| Molecular weight | 627.7 g/mol |
| IUPAC name | (6R,7S)-7-[[(2R,3S)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-3-hydroxybutanoyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| InChIKey | SMSRCGPDNDCXFR-CYWZMYCQSA-N |
02Structure et stéréochimie
2D structurePubChem CID 127527
The parsed structure contains 4 rings, includes aromatic atoms, includes aliphatic carbon, has 4 defined stereocentres. These statements are calculated from the published structure string.
| Defined stereocentres | 4 |
|---|---|
| Ring count | 4 |
| Secondary amines | 0 |
| Tertiary amines | 0 |
| SMILES | CCN1CCN(C(=O)C1=O)C(=O)N[C@H]([C@H](C)O)C(=O)N[C@]2([C@@H]3N(C2=O)C(=C(CS3)CSC4=NN=NN4C)C(=O)O)OC |
|---|---|
| InChI | Non indiqué |
03Stereochemistry
The published structure contains 4 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.
Defined centres4Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 16Before 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 en Inde
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Noms et relations
API et médicament parent
Non indiqué
Noms et relations
- CEFBUPERAZONE
- 76610-84-9
- Cefbuperazona
- Cefbuperazonum
- Cerbuperazone
- BMY-25182
- CBPZ
- T-1982
- T0785J3X40
- (6R,7S)-7-[[(2R,3S)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-3-hydroxybutanoyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- CHEBI:135856
- DTXSID701024595
06Sources
- S01PubChem CID 127527
Structure and machine-readable chemical identifiers.