AC1L4AIA

N-[3-hydroxy-2-methyl-6-[[3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]acetamide;hydrochloride

Also Known As: N-Acetyldoxorubicin hydrochloride|10-((3-(Acetylamino)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5,12-naphthacenedione hydrochloride, (8S-cis)-|5,12-Naphthacenedione, 10-((3-(acetylamino)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, hydrochloride, (8S-cis)-|3,5,12-Trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-[(1-hydroxyethylidene)amino]hexopyranoside--hydrogen chloride (1/1)|N-[3-hydroxy-2-methyl-6-[[3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]acetamide hydrochloride

Molecular Formula	C29H32ClNO12
Molecular Weight	621.1613 g/mol
LogP	0.6005
Topological Polar Surface Area	209.0 Ų
Hydrogen Bond Donors	7
Hydrogen Bond Acceptors	12
Rotatable Bonds	6
Exact Mass	621.1613
Monoisotopic Mass	621.1613
Heavy Atoms	43
Complexity	1080.0

Chemical Identifiers

CAS Number	73068-97-0
SMILES	CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)NC(=O)C)O.Cl
InChIKey	PDHLROKTZQEQQU-UHFFFAOYSA-N