2D structurePubChem CID 7048626
Identitate
Cefazolin Impurity P5
Nu este indicat · C14H14N8O4S3
01Identitate
| Lazychem ID | LC-48350 |
|---|---|
| CAS RN | Nu este indicat |
| PubChem CID | 7048626 |
| Molecular formula | C14H14N8O4S3 |
| Molecular weight | 454.5 g/mol |
| IUPAC name | (6S,7S)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-7-[[2-(tetrazol-1-yl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| InChIKey | MLYYVTUWGNIJIB-CABZTGNLSA-N |
02Structură și stereochimie
2D structurePubChem CID 7048626
The parsed structure contains 4 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 | 4 |
| Secondary amines | 0 |
| Tertiary amines | 0 |
| SMILES | CC1=NN=C(S1)SCC2=C(N3[C@H]([C@H](C3=O)NC(=O)CN4C=NN=N4)SC2)C(=O)O |
|---|---|
| InChI | Nu este indicat |
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.
2D structurePubChem CID 7048624
![Two-dimensional chemical structure of (6R,7S)-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-7-[[1-oxo-2-(1-tetrazolyl)ethyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid](/structures/pubchem/7048624-300.png)
(6R,7S)-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-7-[[1-oxo-2-(1-tetrazolyl)ethyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS not listed
MLYYVTUWGNIJIB-JOYOIKCWSA-N
2 defined, 0 unassigned centres
2D structurePubChem CID 6604080
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 în India
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Denumiri și relații
API și medicament părinte
Nu este indicat
Denumiri și relații
06Surse
- S01PubChem CID 7048626
Structure and machine-readable chemical identifiers.