Cefathiamidine | CAS No. 33075-00-2

Cefathiamidine

Basic Information

CAS Number

33075-00-2

Molecular Formula

C19H28N4O6S2

Molecular Weight

472.59 g/mol

AD

Basic Physical Properties

Melting Point

164-170°C

Boiling Point

°Cat760mmHg

Density

1.45

Refractive Index

1.652

Specific Rotation

+120 ~ +140° (c=1, H2O)

CC(C)NC(=NC(C)C)SCC(=O)NC1C2N(C1=O)C(=C(CS2)COC(=O)C)C(=O)O

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

LogP

0.7837000000000012

Topological Polar Surface Area

137.39999999999998 Ų

Hydrogen Bond Donor/Acceptor

3 / 10

Complexity

811

Safety Information

View Safety Information

GHS Hazard Pictograms

H302H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

  • Q27270750
  • 3-Chloromethylacetophenone
  • LS-150050
  • 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)-
  • CCG-269465
  • 7-(alpha-((N,N'-Diisopropylamidino)thio)acetylamino)cephalosporanic acid
  • 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
  • XIANLISU
  • 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)-
  • CEFATHIAMIDINE IMPURITY 3
  • CHEBI:134698
  • S4880
  • D81831
  • CS-0028153
  • AS-16044
  • AKOS025311505
  • Cefathiamidine
  • 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)-
  • (7R)-7-(2-((N,N'-DIISOPROPYLAMIDINO)THIO)ACETAMIDO)CEPHALOSPORANIC ACID
  • CHEMBL4303356
  • BCP11974
  • A918837
  • 8M7CAS5T8L
  • (6R,7R)-7-(2-((N,N'-DIISOPROPYLAMIDINO)THIO)ACETAMIDO)-3-(HYDROXYMETHYL)-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID ACETATE (ESTER)
  • UNII-8M7CAS5T8L
  • (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
  • 33075-00-2
  • (6R,7R)-3-(acetoxymethyl)-7-(2-(((Z)-N,N'-diisopropylcarbamimidoyl)thio)acetamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • CEFATHIAMIDINE [WHO-DD]
  • HY-107329
  • (6R,7R)-3-(Acetoxymethyl)-7-(2-(((E)-N,N'-diisopropylcarbamimidoyl)thio)acetamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

MDL Number

MFCD01682011

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