CAS Registry Number®
33075-00-2
CAS Name
Cefathiamidine
Molecular Formula
C19H28N4O6S2
Molecular Mass
472.58
Other Names and Identifiers
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
InChIKey=JYXACOFERDBGGQ-RHSMWYFYSA-N
SMILES
C(O)(=O)C=1N2[C@@]([C@H](NC(CSC(NC(C)C)=NC(C)C)=O)C2=O)(SCC1COC(C)=O)[H]
Canonical SMILES
O=C(O)C1=C(COC(=O)C)CSC2N1C(=O)C2NC(=O)CSC(=NC(C)C)NC(C)C
Other Names for this Substance
- 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[[2-[[[(1-methylethyl)amino][(1-methylethyl)imino]methyl]thio]acetyl]amino]-8-oxo-, (6R,7R)-
- 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[[[[[(1-methylethyl)amino][(1-methylethyl)imino]methyl]thio]acetyl]amino]-8-oxo-, (6R–trans)-
- 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[2-[(N,N′-diisopropylamidino)thio]acetamido]-3-(hydroxymethyl)-8-oxo-, acetate (ester)
- 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[[[[[(1-methylethyl)amino][(1-methylethyl)imino]methyl]thio]acetyl]amino]-8-oxo-, (6R,7R)-
- (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
- Cefathiamidine
