Simvastatin Dimer Impurity


Chemical Name: Simvastatin Dimer Impurity
CAS Number: 476305-24-5
Product Number: AG00DF2N(AGN-PC-0WAI9X)
Synonyms:
MDL No:
Molecular Formula: C50H76O10
Molecular Weight: 837.13244

Identification/Properties


Properties
MP:
64 - 71°C
Form:
Solid
Computed Properties
Molecular Weight:
837.148g/mol
XLogP3:
9.3
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
10
Rotatable Bond Count:
20
Exact Mass:
836.544g/mol
Monoisotopic Mass:
836.544g/mol
Topological Polar Surface Area:
146A^2
Heavy Atom Count:
60
Formal Charge:
0
Complexity:
1650
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
14
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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