C 1005

2-(hydroxymethyl)-2-[3-[(1-nitroacridin-9-yl)amino]propylamino]propane-1,3-diol;dihydrochloride

Also Known As: C 1005|1-Nitro-9-(trihydroxymethyl)-methylaminopropylamino-acridine dihydrochloride|1,3-propanediol,2-2-((3-( -,dihydrochloride|1,3-Propanediol,2- -2-((3-( -,dihydrochloride|1,3-Propanediol, 2-(hydroxymethyl)-2-((3-((1-nitro-9-acridinyl)amino)propyl)amino)-, dihydrochloride|1-Nitro-9-(trihydroxymethyl)-methylaminopropylamino-acridine dihyrochloride|2-(Hydroxymethyl)-2-({3-[(1-nitroacridin-9-yl)amino]propyl}amino)propane-1,3-diol--hydrogen chloride (1/2)|2-(hydroxymethyl)-2-[3-[(1-nitroacridin-9-yl)amino]propylamino]propane-1,3-diol dihydrochloride|2-(hydroxymethyl)-2-[3-[(1-nitroacridin-9-yl)amino]propylamino]propane-1,3-diol,dihydrochloride

Molecular Formula	C20H26Cl2N4O5
Molecular Weight	472.12802 g/mol
LogP	2.2471
Topological Polar Surface Area	143.0 Ų
Hydrogen Bond Donors	7
Hydrogen Bond Acceptors	8
Rotatable Bonds	9
Exact Mass	472.12802
Monoisotopic Mass	472.12802
Heavy Atoms	31
Complexity	519.0

Chemical Identifiers

CAS Number	77280-89-8
SMILES	C1=CC=C2C(=C1)C(=C3C(=N2)C=CC=C3[N+](=O)[O-])NCCCNC(CO)(CO)CO.Cl.Cl
InChIKey	INRPLYIIYHUUCS-UHFFFAOYSA-N