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cefuracetime

CAS No.:
39685-31-9
Catalog Number:
AG00CJ58
Molecular Formula:
C17H17N3O8S
Molecular Weight:
423.3972
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Product Description
Catalog Number:
AG00CJ58
Chemical Name:
cefuracetime
CAS Number:
39685-31-9
Molecular Formula:
C17H17N3O8S
Molecular Weight:
423.3972
MDL Number:
MFCD00865104
IUPAC Name:
(6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-(furan-2-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
InChI:
InChI=1S/C17H17N3O8S/c1-8(21)28-6-9-7-29-16-12(15(23)20(16)13(9)17(24)25)18-14(22)11(19-26-2)10-4-3-5-27-10/h3-5,12,16H,6-7H2,1-2H3,(H,18,22)(H,24,25)/b19-11-/t12-,16-/m1/s1
InChI Key:
YBHZVPYSEUQIII-DYJQDLSISA-N
SMILES:
CO/N=C(\C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)COC(=O)C)/c1ccco1
EC Number:
254-592-2
UNII:
F69EA18270
Properties
Complexity:
796  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
1  
Exact Mass:
423.074g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
423.396g/mol
Monoisotopic Mass:
423.074g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
173A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties