Cefaclor

A summary of the most common chemical descriptors (InChI Key and SMILES codes) for Cefaclor are summarized together with 3D and 2D structures and relevant physico-chemical properties.

What is the Cefaclor?

The molecule Cefaclor presents a molecular formula of C15H14ClN3O4S and its IUPAC name is (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.

Cefaclor is a type of cephalosporin antibiotic that is used to treat a variety of bacterial infections. It works by inhibiting the synthesis of the bacterial cell wall, which ultimately leads to the death of the bacteria..

Cefaclor is a white to yellowish powder that is soluble in water and has a molecular weight of 355.36 g/mol. It is usually administered orally, either as a capsule or an oral suspension, and is typically taken every 8 to 12 hours..

Cefaclor is effective against a range of bacterial infections, including bronchitis, pneumonia, urinary tract infections, and skin infections. It is generally well-tolerated, but like all antibiotics, it can cause side effects such as nausea, diarrhea, and allergic reactions..

Cefaclor has been available for clinical use since the 1970s and has a long history of safety and efficacy. It is often used as a second-line treatment when other antibiotics are not effective or when patients are allergic to penicillins..

Cefaclor is typically only prescribed by healthcare providers and should only be taken under the supervision of a healthcare professional. It is important to finish the entire course of treatment as prescribed, even if symptoms improve, to ensure that the infection is completely eliminated..

In conclusion, Cefaclor is a widely used antibiotic that is effective against a range of bacterial infections. It is generally well-tolerated, but like all medications, it can cause side effects and should be taken only as prescribed by a healthcare professional..

Cefaclor is a type of cephalosporin antibiotic that is used to treat a variety of bacterial infections. It works by inhibiting the synthesis of the bacterial cell wall, which ultimately leads to the death of the bacteria..

Cefaclor is a white to yellowish powder that is soluble in water and has a molecular weight of 355.36 g/mol. It is usually administered orally, either as a capsule or an oral suspension, and is typically taken every 8 to 12 hours..

Cefaclor is effective against a range of bacterial infections, including bronchitis, pneumonia, urinary tract infections, and skin infections. It is generally well-tolerated, but like all antibiotics, it can cause side effects such as nausea, diarrhea, and allergic reactions..

Cefaclor has been available for clinical use since the 1970s and has a long history of safety and efficacy. It is often used as a second-line treatment when other antibiotics are not effective or when patients are allergic to penicillins..

Cefaclor is typically only prescribed by healthcare providers and should only be taken under the supervision of a healthcare professional. It is important to finish the entire course of treatment as prescribed, even if symptoms improve, to ensure that the infection is completely eliminated..

Summary

From all the above, this molecule is a widely used antibiotic that is effective against a range of bacterial infections. It is generally well-tolerated, but like all medications, it can cause side effects and should be taken only as prescribed by a healthcare professional..

3D structure

Cartesian coordinates

Geometry of Cefaclor in x, y and z coordinates (Å units) to copy/paste elsewhere. Generated with Open Babel software.

2D drawing

 

Cefaclor QYIYFLOTGYLRGG-GPCCPHFNSA-N chemical compound 2D structure molecule svg
Cefaclor

 

Molecule descriptors

 
IUPAC name(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
InChI codeInChI=1S/C15H14ClN3O4S/c16-8-6-24-14-10(13(21)19(14)11(8)15(22)23)18-12(20)9(17)7-4-2-1-3-5-7/h1-5,9-10,14H,6,17H2,(H,18,20)(H,22,23)/t9-,10-,14-/m1/s1
InChI KeyQYIYFLOTGYLRGG-GPCCPHFNSA-N
SMILESN[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CS[C@H]12)c1ccccc1

Other names (synonyms)

IUPAC nomenclature provides a standardized method for naming chemical compounds. Although this system is widely used in chemistry, many chemical compounds have also other names commonly used in different contexts. These synonyms can come from a variety of sources and are used for a variety of purposes.

One common source of synonyms for chemical compounds is the common or trivial names, assigned on the basis of appearance, properties, or origin of the molecule.

Another source of synonyms are historical or obsolete names employed in the past, however replaced nowadays by more modern or standardized names.

In addition to common and historical names, chemical compounds may also have synonyms that are specific to a particular field or industry.

  • (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
  • (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
  • (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
  • (6R,7R)-7-((S)-2-amino-2-phenylacetamido)-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (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
  • (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
  • (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
  • (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
  • (6R,7R)-7-[[(2R)-2-azaniumyl-2-phenylacetyl]amino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
  • (6R,7R)-7-[[(2S)-2-amino-1-oxo-2-phenylethyl]amino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (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
  • 143059-69-2
  • 3-Chloro-7-D-(2-phenylglycinamido)-3-cephem-4-carboxylic acid
  • 3Z6FS3IK0K
  • 5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7-(((2R)-2-AMINO-2-PHENYLACETYL)AMINO)-3-CHLORO-8-OXO-, (6R,7R)-
  • 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-((aminophenylacetyl)amino)-3-chloro-8-oxo-, (6R-(6-alpha,7-beta(R*)))-
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2R)-2-amino-2-phenylacetyl]amino]-3-chloro-8-oxo-, (6R,7R)-
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,7-[[(2R)-aminophenylacetyl]amino]-3-chloro-8-oxo-, (6R,7R)-
  • 53994-73-3
  • 53994-73-3 (free)
  • 7-((2R)-2-amino-2-phenylacetylamino)(7R,7aR)-3-chloro-6-oxo-2H,7H-azetidino[2, 1-b]1,3-thiazine-4-carboxylic acid
  • 7-(D-2-AMINO-2-PHENYLACETAMIDO)-3-CHLORO-3-CEPHEM-4-CARBOXYLIC
  • 7beta-{[(2R)-2-amino-2-phenylacetyl]amino}-3-chloro-3,4-didehydrocepham-4-carboxylic acid
  • A900728
  • AB00052174
  • AB00052174_15
  • AB00052174_16
  • AS-74992
  • Alfacet
  • BCP9000501
  • BCPP000294
  • BDBM42131
  • BPBio1_000385
  • BPBio1_001326
  • BSPBio_000349
  • BSPBio_001204
  • BSPBio_003276
  • C-2461
  • C06877
  • C3478
  • CCG-40264
  • CCL
  • Ceclor
  • Ceclor CD
  • Cefaclor
  • Cefaclor (JP17)
  • Cefaclor Impurity C
  • Cefaclor anhydrous
  • Cefaclor hydrate
  • Cefaclor, Antibiotic for Culture Media Use Only
  • Cefaclor,(S)
  • CefaclorImpurityC
  • Cefaclorum
  • Cephaclor
  • D00256
  • DB00833
  • DSSTox_CID_2748
  • DSSTox_GSID_22748
  • DSSTox_RID_76713
  • DivK1c_007043
  • Dystaclor MR
  • Epitope ID:117133
  • HMS1571M06
  • HMS1921G22
  • HMS2052C11
  • HMS2092K08
  • HMS2233M13
  • HY-B0198
  • KBio1_001987
  • KBio2_001550
  • KBio2_004118
  • KBio2_006686
  • KBio3_002777
  • KBioGR_000386
  • KBioSS_001550
  • Kefral
  • L-Kefral
  • MFCD00151471
  • MLS000069617
  • MLS001424193
  • NC00354
  • NCGC00015260-22
  • NCGC00022612-04
  • NCGC00022612-05
  • NCGC00022612-06
  • NCGC00022612-07
  • NCGC00022612-10
  • NCGC00022612-11
  • NSC757422
  • Panoral
  • Pharmakon1600-01500771
  • Prestwick0_000485
  • Prestwick0_001102
  • Prestwick1_000485
  • Prestwick1_001102
  • Prestwick2_000485
  • Prestwick2_001102
  • Prestwick3_000485
  • Prestwick3_001102
  • Q415167
  • Raniclor
  • S 6472
  • S-6472
  • SBI-0051606.P002
  • SMR000058250
  • SPECTRUM1500771
  • SR-05000001556
  • SR-05000001556-1
  • SpecPlus_000947
  • cefaclor
  • cid_51039

Reference codes for other databases

There exist several different chemical codes commonly used in orded to identify molecules:
  • ZINC3812869
  • CAS-53994-73-3
  • UNII-3Z6FS3IK0K
  • AKOS024282614
  • BRD-K20338176-002-03-5
  • DTXSID3022748
  • CHEMBL680
  • CHEBI:3478
  • Tox21_110880
  • Tox21_110880_1
  • EINECS 258-909-5
  • SPBio_001237
  • SPBio_002270
  • SPBio_003082
  • SCHEMBL33540
  • Spectrum_001070
  • Spectrum2_001189
  • Spectrum3_001858
  • Spectrum4_000093
  • Spectrum5_001727

Physico-Chemical properties

IUPAC name(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
Molecular formulaC15H14ClN3O4S
Molecular weight367.807
Melting point (ºC)
Boiling point (ºC)
Density (g/cm3)
Molar refractivity92.04
LogP1.7
Topological polar surface area138.0

LogP and topological polar surface area (TPSA) values were estimated using Open Babel software.

The n-octanol/water partition coeficient (Kow) data is applied in toxicology and drug research. Kow values are used, to guess the environmental fate of persistent organic pollutants. High partition coefficients values, tend to accumulate in the fatty tissue of organisms. Molecules with a log(Kow) (or LogP) greater than 5 are considered to bioaccumulate.

TPSA values are the sum of the surface area over all polar atoms or molecules, mainly oxygen and nitrogen, also including hydrogen atoms.

In medicinal chemistry, TPSA is used to assess the ability of a drug to permeabilise cells.

For molecules to penetrate the blood-brain barrier (and act on receptors in the central nervous system), TPSA values below 90 Å2 are required. Thus, molecules with a polar surface area greater than 140 Å2 tend to be poorly permeable to cell membranes.