ChemSpider 2D Image | Ceforanide | C20H21N7O6S2

Ceforanide

  • Molecular FormulaC20H21N7O6S2
  • Average mass519.554 Da
  • Monoisotopic mass519.099487 Da
  • ChemSpider ID39656
  • defined stereocentres - 2 of 2 defined stereocentres


More details:



Featured data source



Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(6R,7R)-7-({[2-(Aminomethyl)phenyl]acetyl}amino)-3-({[1-(carboxymethyl)-1H-tetrazol-5-yl]sulfanyl}methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-carbonsäure [German] [ACD/IUPAC Name]
(6R,7R)-7-({[2-(Aminomethyl)phenyl]acetyl}amino)-3-({[1-(carboxymethyl)-1H-tetrazol-5-yl]sulfanyl}methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [ACD/IUPAC Name]
(6R,7R)-7-({[2-(aminomethyl)phenyl]acetyl}amino)-3-({[1-(carboxymethyl)-1H-tetrazol-5-yl]thio}methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
(6R,7R)-7-[2-(a-Amino-o-tolyl)acetamido]-3-[[[1-(carboxymethyl)-1H-tetrazol-5-yl]thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid
4465
5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[[2-(aminomethyl)phenyl]acetyl]amino]-3-[[[1-(carboxymethyl)-1H-tetrazol-5-yl]thio]methyl]-8-oxo-, (6R,7R)-
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[2-[2-(aminomethyl)phenyl]acetyl]amino]-3-[[[1-(carboxymethyl)-1H-tetrazol-5-yl]thio]methyl]-8-oxo-, (6R,7R)- [ACD/Index Name]
60925-61-3 [RN]
7-[o-(Aminomethyl)phenylacetamido]-3-[[[1-(carboxymethyl)-1H-tetrazol-5-yl]thio]methyl]-3-cephem-4-carboxylic Acid
8M1YF8951V
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS007642 [DBID]
AIDS-007642 [DBID]
C06884 [DBID]
D00259 [DBID]
Prestwick0_000470 [DBID]
Prestwick1_000470 [DBID]
SPBio_002519 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      J01DC11 Wikidata Q5057287
    • Chemical Class:

      A second-generation cephalosporin antibiotic with {[1-(carboxymethyl)-1<element>H</element>-tetrazol-5-yl]sulfanyl}methyl and 2-(aminomethyl)phenylacetamido groups at positions 3 and 7, respectively, of the cephem skeleton. It is effective against many coliforms, including <ital>Escherichia coli</ital>, <ital>Klebsiella</ital>, <ital>Enterobacter</ital> and <ital>Proteus</ital>, and most strains o f <ital>Salmonella</ital>, <ital>Shigella</ital>, <ital>Hemophilus</ital>, <ital>Citrobacter</ital> and <ital>Arizona</ital> species. ChEBI CHEBI:3495

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.830
Molar Refractivity: 127.3±0.5 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 0.60
ACD/LogD (pH 5.5): -3.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 244 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 90.7±7.0 dyne/cm
Molar Volume: 290.0±7.0 cm3

Click to predict properties on the Chemicalize site





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