RefChem:1056942

(E)-but-2-enedioic acid;bis(1-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-(pentoxymethyl)phenyl]propan-1-one)

Also Known As: 1-(4-(2-Hydroxy-3-(isopropylamino)propoxy)-3-(pentyloxymethyl)phenyl)propanone maleate (2:1)|1-Propanone, 1-(4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-3-((pentyloxy)methyl)phenyl)-, (E)-2-butenedioate (2:1) (salt)|(E)-but-2-enedioic acid; 1-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-(pentoxymethyl)phenyl]propan-1-one

Molecular Formula	C46H74N2O12
Molecular Weight	846.5242 g/mol
LogP	7.1594
Topological Polar Surface Area	210.18 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	12
Rotatable Bonds	30
Exact Mass	846.5242
Monoisotopic Mass	846.5242
Heavy Atoms	60
Complexity	1417.1611

Chemical Identifiers

CAS Number	106909-51-7
SMILES	CCCCCOCC1=C(C=CC(=C1)C(=O)CC)OCC(CNC(C)C)O.CCCCCOCC1=C(C=CC(=C1)C(=O)CC)OCC(CNC(C)C)O.C(=C/C(=O)O)\C(=O)O