Deacetoxycephalothin | CAS No. 34691-02-6

Deacetoxycephalothin

Basic Information

CAS Number

34691-02-6

Molecular Formula

C14H14N2O4S2

Molecular Weight

338.4 g/mol

AD

Basic Physical Properties

CC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)O

InChI

InChI=1S/C14H14N2O4S2/c1-7-6-22-13-10(12(18)16(13)11(7)14(19)20)15-9(17)5-8-3-2-4-21-8/h2-4,10,13H,5-6H2,1H3,(H,15,17)(H,19,20)/t10-,13-/m1/s1

InChIKey

KCCXIEAFHKKZLW-ZWNOBZJWSA-N

LogP

1.0490999999999997

Topological Polar Surface Area

86.71000000000001 Ų

Hydrogen Bond Donor/Acceptor

2 / 6

Complexity

563

Synonyms & References

English

  • (6R,7R)-3-methyl-8-oxo-7-[(thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6R,7R)-3-methyl-8-oxo-7-(2-(thiophen-2-yl)acetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-methyl-8-oxo-7-(((2-thienyl)acetyl)amino)-, (6R-trans)-
  • 7beta-(2-Thienylacetamido)desacetoxycephalosporanic acid
  • (6R,7R)-3-methyl-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • 34691-02-6
  • Deacetoxycephalothin
  • 3-Methyl-8-oxo-7-[2-(2-thienyl)acetamido]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-4-carboxylic Acid; 7beta-(2-Thienylacetamido)desacetoxycephalosporanic Acid; (6R,7R)-3-Methyl-8-oxo-7-(2-(thiophen-2-yl)acetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid; Deacetoxycephalothin;
  • (6R,7R)-3-methyl-7-(2-thienyl) acetamidoceph-3-em-4-carboxylic acid
  • KCCXIEAFHKKZLW-ZWNOBZJWSA-N
  • CHEMBL3247676
  • AKOS040751426
  • DTXSID90877501

MDL Number

MFCD31560092

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