Urea, N'-[(8a)-9,10-didehydro-6-methylergolin-8-yl]-N,N-diethyl-,(2Z)-2-butenedioate (1:1)


Chemical Name: Urea, N'-[(8a)-9,10-didehydro-6-methylergolin-8-yl]-N,N-diethyl-,(2Z)-2-butenedioate (1:1)
CAS Number: 19875-60-6
Product Number: AG002BQ8(AGN-PC-0QQ2L2)
Synonyms:
MDL No:
Molecular Formula: C24H30N4O5
Molecular Weight: 454.5188

Identification/Properties


Computed Properties
Molecular Weight:
454.527g/mol
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
5
Exact Mass:
454.222g/mol
Monoisotopic Mass:
454.222g/mol
Topological Polar Surface Area:
126A^2
Heavy Atom Count:
33
Formal Charge:
0
Complexity:
663
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
2
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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