N(1)-Cholesterylcarbamoyl-N(8)-(4-Nitrobenzo-2-Oxa-1,3-Diazole)-3,6-Dioxaoctyl-1,8-Diamine
[CAS# 80685-24-1]

Identification

• Name: N(1)-Cholesterylcarbamoyl-N(8)-(4-Nitrobenzo-2-Oxa-1,3-Diazole)-3,6-Dioxaoctyl-1,8-Diamine
• Synonyms: [(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] N-[2-[2-[2-[(4-Nitro-2,1,3-Benzoxadiazol-7-Yl)Amino]Ethoxy]Ethoxy]Ethyl]Carbamate; N-[2-[2-[2-[(4-Nitro-2,1,3-Benzoxadiazol-7-Yl)Amino]Ethoxy]Ethoxy]Ethyl]Carbamic Acid [(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Ester; N-[2-[2-[2-[(7-Nitrobenzofurazan-4-Yl)Amino]Ethoxy]Ethoxy]Ethyl]Carbamic Acid [(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Ester
• Molecular Formula: C₄₀H₆₁N₅O₇
• Molecular Weight: 723.95
• CAS Registry Number: 80685-24-1
• SMILES: [C@H]56[C@H]1[C@@H]([C@@]4(C(=CC1)C[C@@H](OC(=O)NCCOCCOCCNC2=CC=C([N+]([O-])=O)C3=NON=C23)CC4)C)CC[C@@]5([C@H](CC6)[C@@H](CCCC(C)C)C)C
• InChI: 1S/C40H61N5O7/c1-26(2)7-6-8-27(3)31-11-12-32-30-10-9-28-25-29(15-17-39(28,4)33(30)16-18-40(31,32)5)51-38(46)42-20-22-50-24-23-49-21-19-41-34-13-14-35(45(47)48)37-36(34)43-52-44-37/h9,13-14,26-27,29-33,41H,6-8,10-12,15-25H2,1-5H3,(H,42,46)/t27-,29+,30+,31-,32+,33+,39+,40-/m1/s1
• InChIKey: PYDIBDVAHXFICD-TYSIZKDBSA-N

Properties

• Density: 1.195g/cm³ (Cal.)