4-Demethoxydaunorubicin bis(hydrazone)

3-amino-N,N'-bis[(E)-1-[4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,12-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethylideneamino]pentanediamide;trihydrochloride

Also Known As: 4-Demethoxydaunorubicin bis(hydrazone)|SC 33428|Pentanedioic acid, 3-amino-, bis((1-(4-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-6,11-dioxo-2-naphthacenyl)ethylidene)hydrazide), trihydrochloride, (2S-(2alpha,2(2R*,4R*),4alpha))-|3-amino-N,N'-bis[(E)-1-[4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,12-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethylideneamino]pentanediamide;trihydrochloride|Pentanedioic acid, 3-amino-, bis((1-(4-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-6,11-dioxo-2-naphthacenyl)ethylidene)hydrazide),trihydrochloride, (2S-(2-alpha,2(2R*,4R*),4-alpha))-|3-amino-N,N'-bis[(E)-1-[4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,12-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethylideneamino]pentanediamide,trihydrochloride

Molecular Formula	C57H66Cl3N7O18
Molecular Weight	1241.353 g/mol
LogP	2.2333
Topological Polar Surface Area	428.02 Ų
Hydrogen Bond Donors	13
Hydrogen Bond Acceptors	23
Rotatable Bonds	12
Exact Mass	1241.353
Monoisotopic Mass	1241.353
Heavy Atoms	85
Complexity	3214.0603

Chemical Identifiers

CAS Number	77313-12-3
SMILES	CC1OC(CC(C1O)N)OC2C3=C(C(=C4C(=O)C5=CC=CC=C5C(=O)C4=C3O)O)CC(C2)(O)/C(=N/NC(=O)CC(N)CC(=O)N/N=C(/C6(CC7=C(C(=C8C(=O)C9=CC=CC=C9C(=O)C8=C7O)O)C(C6)OC1OC(C(C(C1)N)O)C)O)\C)/C.Cl.Cl.Cl