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77449-91-3 | pyridine-2-azo-4-dimethylaniline cephalosporin
CAS No: 77449-91-3 Catalog No: AG00GGRB MDL No:
Product Description
Catalog Number:
AG00GGRB
Chemical Name:
pyridine-2-azo-4-dimethylaniline cephalosporin
CAS Number:
77449-91-3
IUPAC Name:
(6R,7R)-3-[[2-[[4-(dimethylamino)phenyl]diazenyl]pyridin-1-ium-1-yl]methyl]-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
InChI:
InChI=1S/C27H26N6O4S2/c1-31(2)19-10-8-18(9-11-19)29-30-21-7-3-4-12-32(21)15-17-16-39-26-23(25(35)33(26)24(17)27(36)37)28-22(34)14-20-6-5-13-38-20/h3-13,23,26H,14-16H2,1-2H3,(H-,28,34,36,37)/t23-,26-/m1/s1
InChI Key:
FCHBECOAGZMTFE-ZEQKJWHPSA-N
Properties
Complexity:
993
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
562.146g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
562.663g/mol
Monoisotopic Mass:
562.146g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
175A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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