ChemSpider 2D Image | Cefazedone | C18H15Cl2N5O5S3

Cefazedone

  • Molecular FormulaC18H15Cl2N5O5S3
  • Average mass548.443 Da
  • Monoisotopic mass546.961243 Da
  • ChemSpider ID64780

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(6R,7R)-7-{[(3,5-Dichlor-4-oxo-1(4H)-pyridinyl)acetyl]amino}-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-carbonsäure [German] [ACD/IUPAC Name]
(6R,7R)-7-{[(3,5-Dichloro-4-oxo-1(4H)-pyridinyl)acetyl]amino}-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [ACD/IUPAC Name]
(6R,7R)-7-{[(3,5-Dichloro-4-oxopyridin-1(4H)-yl)acetyl]amino}-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
264-293-9 [EINECS]
3-(5-Methyl-1,3,4-thiadiazolyl-2-mercaptomethyl)-7-(3,5-dichloro-4-pyridon-1-ylacetamido)-3-cephem-4-carboxylic Acid
56187-47-4 [RN]
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[2-(3,5-dichloro-4-oxo-1(4H)-pyridinyl)acetyl]amino]-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-, (6R,7R)- [ACD/Index Name]
7Y86X0D799
Acide (6R,7R)-7-{[2-(3,5-dichloro-4-oxo-1(4H)-pyridinyl)acétyl]amino}-3-{[(5-méthyl-1,3,4-thiadiazol-2-yl)sulfanyl]méthyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ène-2-carboxylique [French] [ACD/IUPAC Name]
Cefazedona [Spanish] [INN]
More...

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

4117 [DBID]
EMD 30087 [DBID]
AIDS156235 [DBID]
AIDS-156235 [DBID]
BRN 1097746 [DBID]
  • Miscellaneous

    • Chemical Class:

      A cephalosporin compound having [(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl and [(3,5-dichloro-4-oxopyridin-1(4<element>H</element>)-yl)acetamido side-groups. ChEBI CHEBI:131731
      A first-generation cephalosporin antibiotic having [(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl and [(3,5-dichloro-4-oxopyridin-1(4H)-yl)acetamido side-groups located at positions 3 and 7 respecti vely. ChEBI CHEBI:131731

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.761
Molar Refractivity: 126.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 0.92
ACD/LogD (pH 5.5): -1.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 212 Å2
Polarizability: 50.1±0.5 10-24cm3
Surface Tension: 102.3±5.0 dyne/cm
Molar Volume: 306.8±5.0 cm3

Click to predict properties on the Chemicalize site


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