1H-Dibenz[e,g]indole-1-heptanoic acid,9-fluoro-2,3-dihydro-b,d-dihydroxy-3-(1-methylethyl)-2-oxo-3-[(phenylamino)carbonyl]-, calcium salt (2:1), [3R-[1(bR*,dR*),3R*]]-


Chemical Name: 1H-Dibenz[e,g]indole-1-heptanoic acid,9-fluoro-2,3-dihydro-b,d-dihydroxy-3-(1-methylethyl)-2-oxo-3-[(phenylamino)carbonyl]-, calcium salt (2:1), [3R-[1(bR*,dR*),3R*]]-
CAS Number: 148127-12-2
Product Number: AG00AD90(AGN-PC-0Q1CNF)
Synonyms:
MDL No:
Molecular Formula: C66H64CaF2N4O12
Molecular Weight: 1183.3087664

Identification/Properties


Computed Properties
Molecular Weight:
1183.329g/mol
Hydrogen Bond Donor Count:
6
Hydrogen Bond Acceptor Count:
14
Rotatable Bond Count:
18
Exact Mass:
1182.411g/mol
Monoisotopic Mass:
1182.411g/mol
Topological Polar Surface Area:
260A^2
Heavy Atom Count:
85
Formal Charge:
0
Complexity:
982
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
4
Undefined Atom Stereocenter Count:
2
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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