2D structurePubChem CID 5742673
Aitheantas
Cefotaxime
Gan liostú · C16H17N5O7S2
01Aitheantas
| Lazychem ID | LC-84432 |
|---|---|
| CAS RN | Gan liostú |
| PubChem CID | 5742673 |
| Molecular formula | C16H17N5O7S2 |
| Molecular weight | 455.5 g/mol |
| IUPAC name | (6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| InChIKey | GPRBEKHLDVQUJE-QSWIMTSFSA-N |
02Struchtúr agus steiréicheimic
2D structurePubChem CID 5742673
The parsed structure contains 3 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 | 3 |
| Secondary amines | 0 |
| Tertiary amines | 0 |
| SMILES | CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OC)/C3=CSC(=N3)N)SC1)C(=O)O |
|---|---|
| InChI | Gan liostú |
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
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 9703676
![Two-dimensional chemical structure of (6R,7S)-3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid](/structures/pubchem/9703676-300.png)
(6R,7S)-3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS not listed
GPRBEKHLDVQUJE-WVIRHPHLSA-N
2 defined, 0 unassigned centres
2D structurePubChem CID 6398645
![Two-dimensional chemical structure of (6R)-3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid](/structures/pubchem/6398645-300.png)
(6R)-3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS not listed
GPRBEKHLDVQUJE-LLXQAMIASA-N
1 defined, 1 unassigned centres
2D structurePubChem CID 5479527
Cefotaxime EP Impurity D / (E)-cefotaxime
CAS 63527-53-7
GPRBEKHLDVQUJE-VINNURBNSA-N
2 defined, 0 unassigned centres
2D structurePubChem CID 5916965
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.
04Stádas san India
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Ainmneacha agus gaolta
API agus máthairdhruga
Gan liostú
Ainmneacha agus gaolta
06Foinsí
- S01PubChem CID 5742673
Structure and machine-readable chemical identifiers.