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Cephapirin benzathine

CAS No.:
97468-37-6
Catalog Number:
AG01E9CC
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG01E9CC
Chemical Name:
Cephapirin benzathine
CAS Number:
97468-37-6
MDL Number:
MFCD09029421
IUPAC Name:
(6R,7R)-3-(acetyloxymethyl)-8-oxo-7-[(2-pyridin-4-ylsulfanylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;N,N'-dibenzylethane-1,2-diamine
InChI:
InChI=1S/2C17H17N3O6S2.C16H20N2/c2*1-9(21)26-6-10-7-28-16-13(15(23)20(16)14(10)17(24)25)19-12(22)8-27-11-2-4-18-5-3-11;1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16/h2*2-5,13,16H,6-8H2,1H3,(H,19,22)(H,24,25);1-10,17-18H,11-14H2/t2*13-,16-;/m11./s1
InChI Key:
JAHKOXGROZNHHG-RACYMRPCSA-N
EC Number:
619-270-1
UNII:
90G868409O
Properties
Complexity:
878  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
1086.274g/mol
Formal Charge:
0
Heavy Atom Count:
74  
Hydrogen Bond Acceptor Count:
20  
Hydrogen Bond Donor Count:
6  
Isotope Atom Count:
0
Molecular Weight:
1087.266g/mol
Monoisotopic Mass:
1086.274g/mol
Rotatable Bond Count:
23  
Topological Polar Surface Area:
377A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties