N-Benzyladriamycin hydrochloride

(7S,9S)-7-[(2R,4S,5S,6S)-4-(benzylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride

Also Known As: N-Benzyladriamycin HCl|N-Benzyladriamycin hydrochloride|5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-(hydroxyacetyl)-1-methoxy-10-((2,3,6-trideoxy-3-((phenylmethyl)amino)-alpha-L-lyxo-hexopyranosyl)oxy)-6,8,11-trihydroxy-, hydrochloride, (8S-cis)-|(7S,9S)-7-[(2R,4S,5S,6S)-4-(benzylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride|5,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-10-[[2,3,6-trideoxy-3-[(phenylmethyl)amino]-.alpha.-L-lyxohexopyranosyl]oxy]-, hydrochloride, (8S-cis)-

Molecular Formula	C34H36ClNO11
Molecular Weight	669.1977 g/mol
LogP	2.2542
Topological Polar Surface Area	192.0 Ų
Hydrogen Bond Donors	7
Hydrogen Bond Acceptors	12
Rotatable Bonds	8
Exact Mass	669.1977
Monoisotopic Mass	669.1977
Heavy Atoms	47
Complexity	1130.0

Chemical Identifiers

CAS Number	70844-18-7
SMILES	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)NCC6=CC=CC=C6)O.Cl
InChIKey	UEXVZJBBJFUYQV-KYSSLBBXSA-N