Cephalexin Monohydrate
CAS Number: 23325-78-2
Molecular Mass: 365.4 g/mol
Formula: C16H19N3O5S
Smiles: CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1.O
Synonymes:
Cephalexin Monohydrate, Cephalexin monohydrate, 23325-78-2, cefalexin hydrate, 7-(D-alpha-Amino-alpha-phenylacetamido)-3-methyl-3-cephem-4-carboxylic acid monohydrate, CHEBI:3535, DTXSID30945995, RefChem:575134, DTXCID901374293, (6R,7R)-7-(((2R)-2-amino-2-phenylacetyl)amino)-3-methyl-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid--water (1/1), 7beta-((2R)-2-amino-2-phenylacetamido)-3-methyl-3,4-didehydrocepham-4-carboxylic acid--water (1/1), Cephalexin hydrate, Palitrex, Cephalexin (monohydrate), cephalexin.H2O, cefalexin.H2O, Ceffanex, MFCD00167148, (6R,7R)-7-((R)-2-amino-2-phenylacetamido)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid hydrate, 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methyl-8-oxo-, hydrate (1:1), (6R,7R)-, SQ 20248, (6R,7R)-7-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, hydrate, Aristosporin, Cefalexgobens, Cephalobene, Adcadina, Azabort, Bactopenor, Cefacet, Cefalekey, Cefalival, Cefibacter, Domucef, Doriman, Efemida, Karilexina, Loisine, Losporal, Maksipor, Medolexin, Prindex, Rogevil, Servicef, Sintolexyn, Theratrex, Viosporine, Zabytrex, Beliam, Noveol, Ambal, Cephalex von ct, Henina Oral, Keftab (TN), Cefalexina Richet, Cefalexin generics, Cefalexina Northia, Cusisporina-Cefalox, (6R,7R)-7-{[(2R)-2-amino-2-phenylacetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid--water (1/1), Cephalexin 1-wasser, Cefalexin Scand Pharm, Panixine, (6R,7R)-7-((R)-2-Amino-2-phenylacetamido)-3-methyl-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid monohydrate, 7beta-[(2R)-2-amino-2-phenylacetamido]-3-methyl-3,4-didehydrocepham-4-carboxylic acid--water (1/1), UNII-OBN7UDS42Y, Cefalexin hydrate, Cephacillin hydrate, Cephalexin xhydrate, (6R,7R)-7-[(R)-2-Amino-2-phenylacetamido]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid monohydrate, Cephalexin (USP), Prestwick_750, Cephalexin [USAN:USP], Cefalexin monohydrate CRS, CEPHALEXIN [USAN], Panixine disperdose (TN), CEPHALEXIN [VANDF], CEPHALEXIN [USP-RS], SCHEMBL41911, HY-B0200BR, orb1705859, orb3025806, CEPHALEXIN [ORANGE BOOK], CHEMBL1200544, HY-B0200B, CEPHALEXIN [USP MONOGRAPH], HMS1569G17, HMS2096G17, CEPHALEXIN MONOHYDRATE [MI], Cephalexin (monohydrate) (Standard), EBC-12707, s5207, CEPHALEXIN MONOHYDRATE [VANDF], AKOS016340340, CEFALEXIN MONOHYDRATE [WHO-DD], AC19894, KS-1134, 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-((aminophenylacetyl)amino)-3-methyl-8-oxo-, monohydrate (6R-(6alpha,7beta(R*)))-, AC-37610, CEFALEXIN MONOHYDRATE [EP IMPURITY], 7-(D-.alpha.-Amino-.alpha.-phenylacetamido)-3-methyl-3-cephem-4-carboxylic acid monohydrate, CEFALEXIN MONOHYDRATE [EP MONOGRAPH], C08099, D00906, D94616, T20022, F463365, SR-01000759406, Cefalexin monohydrate 100 microg/mL in Acetonitrile, SR-01000759406-3, Q27106123, Cephalexin hydrate, Antibiotic for Culture Media Use Only
Bioactivity: -
Solubility in Different Solvents
| Solvent | Temperature [K] | Crystal form | Solubility [mg/mL] | Reference |
|---|---|---|---|---|
| Acetonitrile | 278.1 | - | 0.0676 | [191] |
| Acetonitrile | 280.1 | - | 0.1078 | [191] |
| Acetonitrile | 283.1 | - | 0.1674 | [191] |
| Methanol | 278.1 | - | 2.162 | [191] |
| Methanol | 280.1 | - | 2.576 | [191] |
| Methanol | 283.1 | - | 3.229 | [191] |
| Methanol | 293.1 | - | 5.466 | [191] |
| Methanol | 303.1 | - | 8.486 | [191] |
| Water | 283.1 | - | 10.84 | [191] |
| Water | 293.1 | - | 14.61 | [191] |
| Water | 303.1 | - | 16.67 | [191] |
| Water | 313.1 | - | 19.29 | [191] |
| Water | 323.1 | - | 25.08 | [191] |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 1134.3509 |
| PMI2 | 4603.3487 |
| PMI3 | 5079.4618 |
| NPR1 | 0.2233 |
| NPR2 | 0.9063 |
| RadiusOfGyration | 3.8473 |
| InertialShapeFactor | 0.0008 |
| Eccentricity | 0.9747 |
| Asphericity | 0.4756 |
| SpherocityIndex | 0.1964 |
| PBF | 0.8394 |