Chloramphenicol Pantothenate

Synonyms:
CHLORAMPHENICOL PANTOTHENATE COMPLEX
Chloramphenicol pantothenate complex [USAN]
31342-36-6
Properties Computed from Structure:
Molecular Weight 581.43442 [g/mol] 
Molecular Formula C20H28CaCl2N3O10+ 
H-Bond Donor 6 
H-Bond Acceptor 10 
Rotatable Bond Count 10 
Tautomer Count 4 
Exact Mass 580.077766 
MonoIsotopic Mass 580.077766 
Topological Polar Surface Area 222 
Heavy Atom Count 36 
Formal Charge 1 
Complexity 575 
Isotope Atom Count 0 
Defined Atom StereoCenter Count 0 
Undefined Atom StereoCenter Count 3 
Defined Bond StereoCenter Count 0 
Undefined Bond StereoCenter Count 0 
Covalently-Bonded Unit Count 3 
Descriptors Computed from Structure:
IUPAC Name: calcium;
2,2-dichloro-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide;
3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoate
Canonical SMILES: CC(C)(CO)C(C(=O)NCCC(=O)[O-])O.C1=CC(=CC=C1C(C(CO)NC(=O)C(Cl)Cl)O)[N+](=
O)[O-].[Ca+2]
InChI: InChI=1/C11H12Cl2N2O5.C9H17NO5.Ca/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7
(4-2-6)15(19)20;1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;/h1-4,8-10,16-17H,
5H2,(H,14,18);7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,
13);/q;;+2/p-1/fC11H12Cl2N2O5.C9H16NO5.Ca/h14H;10H;/q;-1;m