Substance
- Substance Name: sodium cefemetasole
- Formula: C15H16N7NaO5S3
- Molecular Weight: 493.5 g/mol
- Identifiers:
- inchi: InChI=1S/C15H17N7O5S3.Na/c1-21-14(18-19-20-21)30-6-8-5-29-13-15(27-2,17-9(23)7-28-4-3-16)12(26)22(13)10(8)11(24)25;/h13H,4-7H2,1-2H3,(H,17,23)(H,24,25);/q;+1/p-1/t13-,15+;/m1./s1
- inchikey: BITQGIOJQWZUPL-PBCQUBLHSA-M
- csmiles: CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)(NC(=O)CSCC#N)OC)SC2)C(=O)[O-].[Na+]
- ismiles: CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@](C3=O)(NC(=O)CSCC#N)OC)SC2)C(=O)[O-].[Na+]
- pubchemId: 42009
- iupacname: sodium;(6R,7S)-7-[[2-(cyanomethylsulfanyl)acetyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
- wikidataId: Q27106105
- casrn: 56796-39-5
- chemspiderId: 38312
- dsstoxcmpId: DTXCID3025590
- chemblId: CHEMBL1201118
- ecnumber: 627-393-7
sodium cefemetasole
Systems and Datasets
- sodium cefemetasole + ethanol (Datasets: 1)
- Dataset 1 in paper 10.1021/acs.jced.6b00741 (Dataseries: 1, Datapoints: 8, Quantity: Mole fraction)
- sodium cefemetasole + propan-2-ol (Datasets: 1)
- Dataset 2 in paper 10.1021/acs.jced.6b00741 (Dataseries: 1, Datapoints: 8, Quantity: Mole fraction)
- sodium cefemetasole + propan-1-ol (Datasets: 1)
- Dataset 3 in paper 10.1021/acs.jced.6b00741 (Dataseries: 1, Datapoints: 8, Quantity: Mole fraction)
- sodium cefemetasole + butyl ethanoate (Datasets: 1)
- Dataset 4 in paper 10.1021/acs.jced.6b00741 (Dataseries: 1, Datapoints: 8, Quantity: Mole fraction)
- sodium cefemetasole + pentan-1-ol (Datasets: 1)
- Dataset 5 in paper 10.1021/acs.jced.6b00741 (Dataseries: 1, Datapoints: 8, Quantity: Mole fraction)
- sodium cefemetasole + hexane (Datasets: 1)
- Dataset 6 in paper 10.1021/acs.jced.6b00741 (Dataseries: 1, Datapoints: 8, Quantity: Mole fraction)
- sodium cefemetasole + ethyl acetate (Datasets: 1)
- Dataset 7 in paper 10.1021/acs.jced.6b00741 (Dataseries: 1, Datapoints: 8, Quantity: Mole fraction)
- sodium cefemetasole + butan-1-ol (Datasets: 1)
- Dataset 8 in paper 10.1021/acs.jced.6b00741 (Dataseries: 1, Datapoints: 8, Quantity: Mole fraction)
- sodium cefemetasole + cyclohexane (Datasets: 1)
- Dataset 9 in paper 10.1021/acs.jced.6b00741 (Dataseries: 1, Datapoints: 8, Quantity: Mole fraction)
- sodium cefemetasole + ethanol + methanol (Datasets: 1)
- Dataset 10 in paper 10.1021/acs.jced.6b00741 (Dataseries: 8, Datapoints: 72, Quantity: Mole fraction)