Cerubidine

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

Also Known As: Cerubidine|3'-Epidaunomycin hydrochloride|3'-Epidaunorubicin hydrochloride|9-acetyl-7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,9,11-t|5,12-Naphthacenedione, 8-acetyl-10-((3-amino-2,3,6-trideoxy-alpha-L-xylo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, hydrochloride, (8S-cis)-|(7S,9S)-9-acetyl-7-[(2R,4R,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride

Molecular Formula	C27H30ClNO10
Molecular Weight	563.1558 g/mol
LogP	1.4507
Topological Polar Surface Area	186.0 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	11
Rotatable Bonds	4
Exact Mass	563.1558
Monoisotopic Mass	563.1558
Heavy Atoms	39
Complexity	960.0

Chemical Identifiers

CAS Number	67463-64-3
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)C)O)N)O.Cl
InChIKey	GUGHGUXZJWAIAS-WLAZPUTRSA-N