N1-[3-[[3-[[2-(4-Chlorocyclohexyl)-1-Iminoethyl]Amino]Propyl]Methylamino]Propyl]Bleomycinamide
[CAS# 69227-45-8]

Identification

• Name: N1-[3-[[3-[[2-(4-Chlorocyclohexyl)-1-Iminoethyl]Amino]Propyl]Methylamino]Propyl]Bleomycinamide
• Synonyms: Ccris 1245
• Molecular Formula: C₆₅H₁₀₁ClN₂₀O₂₁S₂
• Molecular Weight: 1598.21
• CAS Registry Number: 69227-45-8
• SMILES: [C@H]2(O[C@H]1O[C@@H]([C@@H](O)[C@H](OC(=O)N)[C@@H]1O)CO)[C@@H](O)[C@H](O)[C@@H](O[C@H]2OC(C(NC(=O)C3=C(C(=NC(=N3)C(NCC(N)C(=O)N)CC(=O)N)N)C)C(=O)NC(C(O)C(C)C(=O)NC(C(O)C)C(=O)NCCC4=NC(=CS4)C5=NC(=CS5)C(=O)NCCCNCCCNC(=NC)CC6CCC(Cl)CC6)C)C7=CN=C[NH]7)CO
• InChI: 1S/C65H101ClN20O21S2/c1-27-43(83-56(86-54(27)69)34(19-40(68)90)78-20-33(67)55(70)96)60(100)85-45(51(35-21-74-26-79-35)105-64-53(49(94)47(92)38(22-87)104-64)106-63-50(95)52(107-65(71)102)48(93)39(23-88)103-63)61(101)80-29(3)46(91)28(2)57(97)84-44(30(4)89)59(99)77-17-12-42-81-37(25-108-42)62-82-36(24-109-62)58(98)76-16-7-14-73-13-6-15-75-41(72-5)18-31-8-10-32(66)11-9-31/h21,24-26,28-34,38-39,44-53,63-64,73,78,87-89,91-95H,6-20,22-23,67H2,1-5H3,(H2,68,90)(H2,70,96)(H2,71,102)(H,72,75)(H,74,79)(H,76,98)(H,77,99)(H,80,101)(H,84,97)(H,85,100)(H2,69,83,86)/t28?,29?,30?,31?,32?,33?,34?,38-,39+,44?,45?,46?,47+,48+,49-,50-,51?,52-,53-,63+,64-/m0/s1
• InChIKey: AWGNRUQLUIRDRP-MWAPXASTSA-N

Properties

• Density: 1.684g/cm³ (Cal.)