C28H32N4O9S.ClH

[(E)-1-[(2S,4R)-4-[(2S,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethylideneamino]thiourea;hydrochloride

Also Known As: Daunomycin thiosemicarbazone hydrochloride|Hydrazinecarbothioamide, 2-(1-(4-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl)ethylidene)-, monohydrochloride, (2S-trans)-|Hydrazinecarbothioamide, 2-[1-[4-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl]ethylidene]-, monohydrochloride, (2S-trans)-

Molecular Formula	C28H33ClN4O9S
Molecular Weight	636.16565 g/mol
LogP	1.0708
Topological Polar Surface Area	219.18 Ų
Hydrogen Bond Donors	7
Hydrogen Bond Acceptors	12
Rotatable Bonds	5
Exact Mass	636.16565
Monoisotopic Mass	636.16565
Heavy Atoms	43
Complexity	1524.2806

Chemical Identifiers

CAS Number	64439-46-9
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(=N/NC(=S)N)/C)O)N)O.Cl