2D structurePubChem CID 122893
Identität
Einecs 251-075-3
Nicht angegeben · C13H14N6O6S
01Identität
| Lazychem ID | LC-52141 |
|---|---|
| CAS RN | Nicht angegeben |
| PubChem CID | 122893 |
| Molecular formula | C13H14N6O6S |
| Molecular weight | 382.35 g/mol |
| IUPAC name | 3-(acetyloxymethyl)-8-oxo-7-[[2-(tetrazol-1-yl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| InChIKey | PIXMOMPJMIAMLJ-UHFFFAOYSA-N |
02Struktur und Stereochemie
2D structurePubChem CID 122893
The parsed structure contains 3 rings, includes aromatic atoms, includes aliphatic carbon. These statements are calculated from the published structure string.
| Defined stereocentres | 0 |
|---|---|
| Ring count | 3 |
| Secondary amines | 0 |
| Tertiary amines | 0 |
| SMILES | CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CN3C=NN=N3)SC1)C(=O)O |
|---|---|
| InChI | Nicht angegeben |
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
2 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 11740601
![Two-dimensional chemical structure of (6R-trans)-3-(Acetoxymethyl)-8-oxo-7-(1H-tetrazol-1-ylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid](/structures/pubchem/11740601-300.png)
(6R-trans)-3-(Acetoxymethyl)-8-oxo-7-(1H-tetrazol-1-ylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS not listed
PIXMOMPJMIAMLJ-BXKDBHETSA-N
2 defined, 0 unassigned centres
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 in Indien
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Namen und Beziehungen
API und Ausgangsarzneistoff
Nicht angegeben
Namen und Beziehungen
06Quellen
- S01PubChem CID 122893
Structure and machine-readable chemical identifiers.