Cefaclor

CAS Number: 70356-03-5

Molecular Mass: 385.8 g/mol

Formula: C₁₅H₁₆ClN₃O₅S

Smiles: N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CS[C@H]12)c1ccccc1.O

Synonymes:

Cefaclor, Cefaclor monohydrate, 70356-03-5, RefChem:574966, Panoral, Cefaclor (monohydrate), MFCD00071999, 3-Chloro-7-D-(2-phenylglycinamido)-3-cephem-4-carboxylic acid monohydrate, (6R,7R)-7-((R)-2-amino-2-phenylacetamido)-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid hydrate, Alfatil, Kefolor, Panacef, Alfatil Kapseln, Muco Panoral, Kefolor Suspension, Cefaclor-1-wasser, (6R,7R)-7-((R)-2-Amino-2-phenylacetamido)-3-chloro-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid monohydrate, Keflor, Lilly 99638 hydrate, (6R,7R)-7-[[(2R)-2-amino-2-phenylacetyl]amino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, hydrate, C15H16ClN3O5S, Cefachlor, UNII-69K7K19H4L, Di staclor, 70356-03-5 (hydrate), Cefaclor (USP), (6R,7R)-7-[(R)-2-Amino-2-phenylacetamido]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid monohydrate, Cefaclor Monohydrate, (6R,7R)-7-[[(2R)-Aminophenylacetyl]amino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid monohydrate, 7-(D-2-amino-2-phenylacetamido)-3-chloro-3-cephem-4-carboxylic acid monohydrate, Prestwick_783, Ceclor (TN), Cefaclor [USAN:USP:INN:BAN:JAN], Cefaclor, Monohydrate, CEFACLOR [USAN], CEFACLOR [VANDF], CEFACLOR [MART.], CEFACLOR [USP-RS], SCHEMBL33539, CEFACLOR [ORANGE BOOK], orb1308457, CEFACLOR [EP MONOGRAPH], CEFACLOR [USP MONOGRAPH], CHEMBL1201018, HY-B0198A, CEFACLOR MONOHYDRATE [MI], DTXSID80990551, GLXC-08150, HMS1569B11, HMS2096B11, HMS3713B11, CEFACLOR MONOHYDRATE [VANDF], s1499, CEFACLOR MONOHYDRATE [WHO-DD], AKOS016010170, CCG-220485, EBC-129028, FC19844, NSC 757422, (6R,7R)-7-[(2-Amino-2-phenylacetyl)amino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid Monohydrate, AS-57307, SY247823, CS-0013096, C76242, D02352, F241570, SR-01000000152, SR-01000000152-4, (6R,7R)-7-[(2R)-2-amino-2-phenylacetamido]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid hydrate, (6R,7R)-7-[[(2R)-2-amino-2-phenyl-acetyl]amino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, hydrate, (6R,7R)-7-{[(2R)-2-Amino-1-hydroxy-2-phenylethylidene]amino}-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid--water (1/1), 5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7-((AMINOPHENYLACETYL)AMINO)-3-CHLORO-8-OXO-, MONOHYDRATE, (6R-(6.ALPHA.,7.BETA.(R*)))-, 7-[(2-Amino-1-hydroxy-2-phenylethylidene)amino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid--water (1/1)

Bioactivity: -

Solubility in Different Solvents

Solvent	Temperature [K]	Crystal form	Solubility [mg/mL]	Reference
Acetone	278.15	-	0.1099	[60]
Acetone	283.15	-	0.1424	[60]
Acetone	288.15	-	0.1816	[60]
Acetone	293.15	-	0.2285	[60]
Acetone	298.15	-	0.2858	[60]
Acetone	303.15	-	0.354	[60]
Acetone	308.15	-	0.4402	[60]
Acetone	313.15	-	0.5495	[60]
Ethanol	278.15	-	0.1589	[60]
Ethanol	283.15	-	0.2035	[60]
Ethanol	288.15	-	0.2564	[60]
Ethanol	293.15	-	0.315	[60]
Ethanol	298.15	-	0.3753	[60]
Ethanol	303.15	-	0.4395	[60]
Ethanol	308.15	-	0.5151	[60]
Ethanol	313.15	-	0.6173	[60]
Methanol	278.15	-	0.8416	[60]
Methanol	283.15	-	0.9692	[60]
Methanol	288.15	-	1.098	[60]
Methanol	293.15	-	1.229	[60]
Methanol	298.15	-	1.369	[60]
Methanol	303.15	-	1.538	[60]
Methanol	308.15	-	1.741	[60]
Methanol	313.15	-	1.988	[60]
Water	278.15	-	8.293	[60]
Water	283.15	-	8.59	[60]
Water	288.15	-	8.936	[60]
Water	293.15	-	9.521	[60]
Water	298.15	-	10.16	[60]
Water	303.15	-	10.89	[60]
Water	308.15	-	11.75	[60]
Water	313.15	-	12.8	[60]

Molecule 3D descriptors

Descriptor	Value
PMI1	967.6826
PMI2	5588.1601
PMI3	6062.5437
NPR1	0.1596
NPR2	0.9218
RadiusOfGyration	4.0438
InertialShapeFactor	0.0010
Eccentricity	0.9872
Asphericity	0.5970
SpherocityIndex	0.1818
PBF	0.7932