Cyanomorpholinoadriamycin

4-[3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]morpholine-3-carbonitrile

Also Known As: Mra-CN|Cyanomorpholinoadriamycin|cyanomorpholino doxorubicin|MRA-CN isomer a, a:b = 93:7|NCI60_003240|3'-(3-Cyano-4-morpholinyl)-3'-deamino-adriamycin|3'-Deamino-3'-(3-cyano-4-morpholinyl)doxorubicin|4-[3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]morpholine-3-carbonitrile|5, 10-[[3-(3-cyano-4-morpholinyl)-2,3,6-trideoxy-.alpha.- L-lyxo-hexopyranosyl]oxy]-7,8,9,10-tetrahydro-6,8,11- trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8S-cis)-|5,12-Naphthacenedione, 10-[[3-(3-cyano-4-morpholinyl)-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl]oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-

Molecular Formula	C32H34N2O12
Molecular Weight	638.2112 g/mol
LogP	2.0
Topological Polar Surface Area	216.0 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	14
Rotatable Bonds	6
Exact Mass	638.2112
Monoisotopic Mass	638.2112
Heavy Atoms	46
Complexity	1240.0

Chemical Identifiers

CAS Number	88254-07-3
SMILES	CC1C(C(CC(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)N6CCOCC6C#N)O
InChIKey	YIMDLWDNDGKDTJ-WJRCOUIISA-N