1H-Pyrrole-1-heptanoic acid,2-(4-fluorophenyl)-b,d-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-, calcium salt (2:1), (bR,dR)-


Chemical Name: 1H-Pyrrole-1-heptanoic acid,2-(4-fluorophenyl)-b,d-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-, calcium salt (2:1), (bR,dR)-
CAS Number: 134523-03-8
Product Number: AG00368S(AGN-PC-0PKBY1)
Synonyms:
MDL No:
Molecular Formula: C66H68CaF2N4O10
Molecular Weight: 1155.3417

Identification/Properties


Properties
MP:
176-178 °C
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Solubility:
DMSO: ≥10mg/mL
Computed Properties
Molecular Weight:
1155.363g/mol
Hydrogen Bond Donor Count:
6
Hydrogen Bond Acceptor Count:
12
Rotatable Bond Count:
22
Exact Mass:
1154.453g/mol
Monoisotopic Mass:
1154.453g/mol
Topological Polar Surface Area:
229A^2
Heavy Atom Count:
83
Formal Charge:
0
Complexity:
817
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
4
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
3
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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