Cyanomorpholino doxorubicin

4-[(2S,3S,4S,6R)-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|Cyanomorpholinodoxorubicin|3'-3CN-4morphAdriamycin|3'-deamino-3'-(3-cyanomorpholin-4-yl)doxorubicin|MRA-CN isomer a, a:b = 93:7|3'-(3-Cyano-4-morpholinyl)-3'-deamino-adriamycin|A-489|3'-(3-cyano-4-morpholinyl)-3'-deaminoadriamycin|3'-Deamino-3'-(3-cyano-4-morpholinyl)doxorubicin|SID:134223680|A 489|3'-Deamino-3'-(3-cyano-4-morpholinyl)adriamycin|3'-DESAMINO-3'-(3-CYANO-4-MORPHOLINYL)-DOXORUBICIN|3 -Deamino-3 -(3-cyano-4-morpholinyl)adriamycin|4-[(2S,3S,4S,6R)-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|alpha-3'-Deamino-3'-(3-cyano-4-morpholinyl-12-imino-13-dihydroadriamycin|(1S,3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-(3-cyanomorpholin-4-yl)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside|(8S-cis)-10-((3-((S)-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-5,12-naphthacenedione|10-((3-((S)-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-5,12-naphthacenedione (8S-cis)-|5,12-Naphthacenedione, 10-((3-((S)-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-|3'-deamino-3'-(3-cyano-4-morpholinyl)doxorubicin, (S-(8S-cis))-isomer|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-, (8S-cis)-|(1S,3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-[(3S)-3-cyanomorpholin-4-yl]-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside|(8S)-1-Methoxy-6,8alpha,11-trihydroxy-8beta-(hydroxyacetyl)-10alpha-[[3-(3-cyanomorpholino)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl]oxy]-7,8,9,10-tetrahydro-5,12-naphthacenedione|(8S,10S)-10alpha-[[3-(3-Cyano-4-morpholinyl)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl]oxy]-7,8,9,10-tetrahydro-6,8alpha,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5,12-naphthacenedione|4-[(2S,3S,4S,6R)-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]tetrahydropyran-4-yl]morpholine-3-carbonitrile

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	89196-08-7
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)N6CCOCC6C#N)O
InChIKey	YIMDLWDNDGKDTJ-QLKYHASDSA-N