Lys(6)-LHRH-doxorubicin
[CAS# 149665-71-4]

Identification

• Name: Lys(6)-LHRH-doxorubicin
• Synonyms: Lhrh, Lysine(6)-Doxorubicin; Luteinizing Hormone-Releasing Factor (Pig), 6-(N6-(5-((2,3,6-Trideoxy-1-O-(1,2,3,4,6,11-Hexahydro-3,5,12-Trihydroxy-3-(Hydroxyacetyl)-10-Methoxy-6,11-Dioxo-1-Naphthacenyl)-Alpha-L-Lyxo-Hexopyranos-3-Yl)Amino)-1,5-Dioxopentyl)-D-Lysine)-, (1S-Cis)-; Lys(6)-Lhrh-Doxorubicin
• Molecular Formula: C₉₁H₁₁₇N₁₉O₂₆
• Molecular Weight: 1893.04
• CAS Registry Number: 149665-71-4
• SMILES: C1=C[NH]C(=N1)CC(C(NC(C(NC(C(NC(C(NC(CCCCNC(CCCC(NC2CC(OC(C2O)C)OC6C5=C(C4=C(C(C3=CC=CC(=C3C4=O)OC)=O)C(=C5CC(C6)(C(=O)CO)O)O)O)=O)=O)C(NC(C(NC(C(N7CCCC7C(NCC(N)=O)=O)=O)CCCNC(N)=N)=O)CC(C)C)=O)=O)CC8=CC=C(C=C8)O)=O)CO)=O)CC9=C[NH]C%10=C9C=CC=C%10)=O)NC(C%11NC(CC%11)=O)=O
• InChI: 1S/C91H117N19O26/c1-44(2)33-57(83(126)104-55(17-11-29-98-90(93)94)89(132)110-32-12-18-62(110)88(131)100-41-66(92)115)105-81(124)53(16-7-8-28-97-68(116)20-10-21-69(117)102-56-37-71(135-45(3)76(56)119)136-64-39-91(133,65(114)43-112)38-51-73(64)80(123)75-74(78(51)121)77(120)50-14-9-19-63(134-4)72(50)79(75)122)103-84(127)58(34-46-22-24-48(113)25-23-46)106-87(130)61(42-111)109-85(128)59(35-47-40-99-52-15-6-5-13-49(47)52)107-86(129)60(36-67-95-30-31-96-67)108-82(125)54-26-27-70(118)101-54/h5-6,9,13-15,19,22-25,30-31,40,44-45,53-62,64,71,76,99,111-113,119,121,123,133H,7-8,10-12,16-18,20-21,26-29,32-39,41-43H2,1-4H3,(H2,92,115)(H,95,96)(H,97,116)(H,100,131)(H,101,118)(H,102,117)(H,103,127)(H,104,126)(H,105,124)(H,106,130)(H,107,129)(H,108,125)(H,109,128)(H4,93,94,98)
• InChIKey: PNUGLWTUASDUFU-UHFFFAOYSA-N

Properties

• Density: 1.57g/cm³ (Cal.)