2D structurePubChem CID 5479539
Identitet
Cefpirome
CAS 84957-29-9 · C22H22N6O5S2
01Identitet
| Lazychem ID | LC-100783 |
|---|---|
| CAS RN | 84957-29-9 |
| PubChem CID | 5479539 |
| Molecular formula | C22H22N6O5S2 |
| Molecular weight | 514.6 g/mol |
| IUPAC name | (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate |
| InChIKey | DKOQGJHPHLTOJR-WHRDSVKCSA-N |
02Struktura i stereokemija
2D structurePubChem CID 5479539
The parsed structure contains 5 rings, includes aromatic atoms, includes aliphatic carbon, has 2 defined stereocentres. These statements are calculated from the published structure string.
| Defined stereocentres | 2 |
|---|---|
| Ring count | 5 |
| Secondary amines | 0 |
| Tertiary amines | 0 |
| SMILES | CO/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=CC=CC5=C4CCC5)C(=O)[O-] |
|---|---|
| InChI | Nije navedeno |
03Stereochemistry
The published structure contains 2 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.
Defined centres2Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 4Before symmetry reduction
Published same-connectivity configurations
3 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.
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
- CEFPIROME
- 84957-29-9
- Cefpiroma
- Cefpiromum
- Cefir
- HR 810
- HR-810 FREE BASE
- S72Q2F09HY
- (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
- CHEBI:3503
- DTXSID2048244
- 5H-1-Pyrindinium, 1-((7-(((2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)-5,6,7,8-tetrahydro-, hydroxide, inner salt, (6R-(6alpha,7beta(Z)))-
06Izvori
- S01PubChem CID 5479539
Structure and machine-readable chemical identifiers.