1-[6-[[(13S,17S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]amino]hexyl]pyrrole-2,5-dione


Chemical Name: 1-[6-[[(13S,17S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]amino]hexyl]pyrrole-2,5-dione
CAS Number: 112648-68-7
Product Number: AG00387S(AGN-PC-00IQWN)
Synonyms:
MDL No:
Molecular Formula: C29H40N2O3
Molecular Weight: 464.6395

Identification/Properties


Computed Properties
Molecular Weight:
464.65g/mol
XLogP3:
4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
9
Exact Mass:
464.304g/mol
Monoisotopic Mass:
464.304g/mol
Topological Polar Surface Area:
58.6A^2
Heavy Atom Count:
34
Formal Charge:
0
Complexity:
763
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
5
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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