Cefixime
CAS Number: 97164-56-2
Molecular Mass: 453.5 g/mol
Formula: C16H15N5O7S2
Smiles: C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\OCC(=O)O)c3csc(N)n3)[C@H]2SC1
Synonymes:
Cefixime, 97164-56-2, Cefixime(E)-form, Cefixime anhydrous, (E)-, UNII-U7RWT9J78O, U7RWT9J78O, (6R,7R)-7-(((2E)-2-(2-Amino-4-thiazolyl)-2-((carboxymethoxy)imino)acetyl)amino)-3-ethenyl-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2E)-2-(2-amino-4-thiazolyl)-2-((carboxymethoxy)imino)acetyl)amino)-3-ethenyl-8-oxo-, (6R,7R)-, RefChem:200102, (E)-Cefixime, Cefixime EP Impurity D, Cefixime Impurity D, (E)-CEFIXIME (CEFIXIME EP IMPURITY D), (6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(carboxymethoxyimino)acetyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, Ytterbium(III) ionophore I, C16H15N5O7S2, NCGC00016938-01, CAS-79350-37-1, Prestwick2_000462, SCHEMBL49534, CHEMBL427069, DTXCID702754, BDBM88962, CHEBI:93248, cid_56642849, HMS1569M06, Tox21_110694, NCGC00185001-01, BRD-K04993501-001-01-9, Q27290799, [6r-[6alpha,7beta(E)]]-7-[[(2-Amino-4-thiazolyl)[(car, (6R,7R)-7-((E)-2-(2-aminothiazol-4-yl)-2-((carboxymethoxy)imino)acetamido)-8-oxo-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6R,7R)-7-[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-[(carboxymethoxy)imino]acetamido]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(carboxymethoxyimino)acetyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, hydrate, (6R,7R)-7-[[(2E)-2-(2-amino-4-thiazolyl)-2-(carboxymethoxyimino)-1-oxoethyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, hydrate, (6R,7R)-7-[[(2E)-2-(2-aminothiazol-4-yl)-2-(carboxymethoxyimino)acetyl]amino]-8-oxo-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6R,7R)-7-[[(2E)-2-(2-aminothiazol-4-yl)-2-(carboxymethyloximino)acetyl]amino]-8-keto-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, hydrate, (6R,7R)-7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-(2-hydroxy-2-oxoethyloxyimino)ethanoyl]amino]-3-ethenyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, hydrate, (6r,7r,e)-7-(2-(2-aminothiazol-4-yl)-2-(carboxymethoxyimino)acetamido)-8-oxo-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Bioactivity: -
Solubility in Different Solvents
| Solvent | Temperature [K] | Crystal form | Solubility [mg/mL] | Reference |
|---|---|---|---|---|
| Water | 293.15 | - | 0.3468 | [470] |
| Water | 298.15 | - | 0.4141 | [470] |
| Water | 303.15 | - | 0.5038 | [470] |
| Water | 308.15 | - | 0.6231 | [470] |
| Water | 313.15 | - | 0.7843 | [470] |
| Water | 323.15 | - | 1.179 | [470] |
| Water | 333.15 | - | 1.735 | [470] |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 1777.7229 |
| PMI2 | 7210.2089 |
| PMI3 | 7562.0866 |
| NPR1 | 0.2351 |
| NPR2 | 0.9535 |
| RadiusOfGyration | 4.2718 |
| InertialShapeFactor | 0.0005 |
| Eccentricity | 0.9720 |
| Asphericity | 0.4607 |
| SpherocityIndex | 0.2844 |
| PBF | 1.0819 |