Substance
- Substance Name: Cefathiamidine
- Formula: C19H28N4O6S2
- Molecular Weight: 472.6 g/mol
- Identifiers:
- casrn: 33075-00-2
- pubchemId: 15942748
- iupacname: (6R,7R)-3-(acetyloxymethyl)-7-[[2-[N,N'-di(propan-2-yl)carbamimidoyl]sulfanylacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- inchi: InChI=1S/C19H28N4O6S2/c1-9(2)20-19(21-10(3)4)31-8-13(25)22-14-16(26)23-15(18(27)28)12(6-29-11(5)24)7-30-17(14)23/h9-10,14,17H,6-8H2,1-5H3,(H,20,21)(H,22,25)(H,27,28)/t14-,17-/m1/s1
- inchikey: JYXACOFERDBGGQ-RHSMWYFYSA-N
- csmiles: CC(C)NC(=NC(C)C)SCC(=O)NC1C2N(C1=O)C(=C(CS2)COC(=O)C)C(=O)O
- ismiles: CC(C)NC(=NC(C)C)SCC(=O)N[C@H]1[C@@H]2N(C1=O)C(=C(CS2)COC(=O)C)C(=O)O
- wikidataId: Q27270750
- chemspiderId: 13085412
- dsstoxcmpId: DTXCID301382707
Cefathiamidine
Systems and Datasets
- acetone + water + Cefathiamidine (Datasets: 1)
- Dataset 1 in paper 10.1021/acs.jced.5b00617 (Dataseries: 1, Datapoints: 49, Quantity: Mole fraction)
- ethanol + water + (6R,7R)-3-[(Acetyloxy)methyl]-7-[[2-[[[(1-methylethyl)amino][(1-methylethyl)imino]methyl]thio]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (Datasets: 1)
- Dataset 2 in paper 10.1021/acs.jced.5b00617 (Dataseries: 1, Datapoints: 49, Quantity: Mole fraction)
- propan-2-ol + water + (6R,7R)-3-[(Acetyloxy)methyl]-7-[[2-[[[(1-methylethyl)amino][(1-methylethyl)imino]methyl]thio]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (Datasets: 1)
- Dataset 3 in paper 10.1021/acs.jced.5b00617 (Dataseries: 1, Datapoints: 49, Quantity: Mole fraction)