Cefacetrile
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Product Description
Product
Cefacetrile
CAS
10206-21-0
Formula
C12H12S2
Synonym
cefacetrile; CEPHACETRILE; Cephacetrile (base and/or unspecified salts); (6R,7R)-3-Acetoxymethyl-7-(2-cyanacetamido)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-2-carbonsaeure; (6R,7R)-7-(2-Cyanoacetylamino)-3-(acetoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]octan-2-ene-2-carboxylic acid; (7R)-3-[(Acetyloxy)methyl]-7-[(cyanoacetyl)amino]cepham-3-ene-4-carboxylic acid; 7-(2-Cyanacetamido)-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-2-carboxylat acetat (ester); 7-Cyanacetylamino-cephalosporansaeure
Typical Product Specifications
Molecular weight
339.33
EINECS
233-508-8
SMILES
CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CC#N)SC1)C(=O)O
InChI
RRYMAQUWDLIUPV-BXKDBHETSA-N
InChIKey
1S/C13H13N3O6S/c1-6(17)22-4-7-5-23-12-9(15-8(18)2-3-14)11(19)16(12)10(7)13(20)21/h9,12H,2,4-5H2,1H3,(H,15,18)(H,20,21)/t9-,12-/m1/s1
Atmospheric OH Rate Constant
1.16E-10 cm3/molecule-sec
log P (octanol-water)
-0.45
Vapor Pressure
1.73E-13 mm Hg
Water solubility
463 mg/L
Henry's Law Constant
1.65E-19 atm-m3/mole
Chemical Structure
Class
Industry
Functions
Cefacetrile
Product Description
Product
Cefacetrile
CAS
10206-21-0
Formula
C12H12S2
Synonym
cefacetrile; CEPHACETRILE; Cephacetrile (base and/or unspecified salts); (6R,7R)-3-Acetoxymethyl-7-(2-cyanacetamido)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-2-carbonsaeure; (6R,7R)-7-(2-Cyanoacetylamino)-3-(acetoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]octan-2-ene-2-carboxylic acid; (7R)-3-[(Acetyloxy)methyl]-7-[(cyanoacetyl)amino]cepham-3-ene-4-carboxylic acid; 7-(2-Cyanacetamido)-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-2-carboxylat acetat (ester); 7-Cyanacetylamino-cephalosporansaeure
Typical Product Specifications
Molecular weight
339.33
EINECS
233-508-8
SMILES
CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CC#N)SC1)C(=O)O
InChI
RRYMAQUWDLIUPV-BXKDBHETSA-N
InChIKey
1S/C13H13N3O6S/c1-6(17)22-4-7-5-23-12-9(15-8(18)2-3-14)11(19)16(12)10(7)13(20)21/h9,12H,2,4-5H2,1H3,(H,15,18)(H,20,21)/t9-,12-/m1/s1
Atmospheric OH Rate Constant
1.16E-10 cm3/molecule-sec
log P (octanol-water)
-0.45
Vapor Pressure
1.73E-13 mm Hg
Water solubility
463 mg/L
Henry's Law Constant
1.65E-19 atm-m3/mole
Chemical Structure
Class
Industry
Functions
