3G365OSY3E

N-[(2S,3S,4S,6R)-6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]-2-[[2-(dimethylamino)acetyl]amino]acetamide;hydrochloride

Also Known As: Nsc 246132|5,12-Naphthacenedione, 8-acetyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-((2,3,6-trideoxy-3-((N-(N,N-dimethylglycyl)glycyl)amino)-alpha-L-lyxo-hexopyranosyl)oxy)-, monohydrochloride, (8S-cis)-|8-Acetyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-((2,3,6-trideoxy-3-((N-(N,N-dimethylglycyl)glycyl)amino)-alpha-L-lyxo-hexopyranosyl)oxy)-5,12-naphthacenedione monohydrochloride, (8S-cis)-|5,12-NAPHTHACENEDIONE, 8-ACETYL-7,8,9,10-TETRAHYDRO-6,8,11-TRIHYDROXY-1-METHOXY-10-((2,3,6-TRIDEOXY-3-((N-(N,N-DIMETHYLGLYCYL)GLYCYL)AMINO)-.ALPHA.-L-LYXO-HEXOPYRANOSYL)OXY)-, MONOHYDROCHLORIDE, (8S-CIS)-|5,12-Naphthacenedione, 8-acetyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-[[2,3,6-trideoxy-3-[[[[(dimethylamino)acetyl]amino]acetyl]amino]-.alpha.-L-lyxo-hexopyranosyl]oxy]-, monohydrochloride, (8S-cis)-|N-[(2S,3S,4S,6R)-6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]-2-[[2-(dimethylamino)acetyl]amino]acetamide hydrochloride

Molecular Formula	C33H40ClN3O12
Molecular Weight	705.23004 g/mol
LogP	0.286
Topological Polar Surface Area	221.0 Ų
Hydrogen Bond Donors	7
Hydrogen Bond Acceptors	13
Rotatable Bonds	9
Exact Mass	705.23004
Monoisotopic Mass	705.23004
Heavy Atoms	49
Complexity	1260.0

Chemical Identifiers

CAS Number	58161-65-2
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)NC(=O)CNC(=O)CN(C)C)O.Cl
InChIKey	ZVPGKONLVQAMJZ-SGLHZKEVSA-N