Cefathiamidine

CAS Registry Number®

33075-00-2

CAS Name

Cefathiamidine

Molecular Formula

C19H28N4O6S2

Molecular Mass

472.58

Cite this Page

Cefathiamidine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=33075-00-2 (retrieved 2024-11-25) (CAS RN: 33075-00-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

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

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