25-((7-Chloro-4-Nitrobenz-2-Oxa-1,3-Diazole)Methylamino)-27-Norcholesterol
[CAS# 105539-27-3]

Identification

• Name: 25-((7-Chloro-4-Nitrobenz-2-Oxa-1,3-Diazole)Methylamino)-27-Norcholesterol
• Synonyms: (3S,8S,9S,10R,13R,14S,17S)-10,13-Dimethyl-17-[(1R)-1-Methyl-5-[Methyl-(4-Nitro-2,1,3-Benzoxadiazol-7-Yl)Amino]Hexyl]-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Ol; (3S,8S,9S,10R,13R,14S,17S)-10,13-Dimethyl-17-[(1R)-1-Methyl-5-[Methyl-(7-Nitrobenzofurazan-4-Yl)Amino]Hexyl]-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Ol; 25-Nbd-Methylamino-27-Norcholesterol
• Molecular Formula: C₃₃H₄₈N₄O₄
• Molecular Weight: 564.77
• CAS Registry Number: 105539-27-3
• SMILES: [C@H]34[C@H]1[C@@H]([C@@]2(C(=CC1)C[C@@H](O)CC2)C)CC[C@@]3([C@@H](CC4)[C@@H](CCCC(N(C5=CC=C([N+]([O-])=O)C6=NON=C56)C)C)C)C
• InChI: 1S/C33H48N4O4/c1-20(7-6-8-21(2)36(5)28-13-14-29(37(39)40)31-30(28)34-41-35-31)25-11-12-26-24-10-9-22-19-23(38)15-17-32(22,3)27(24)16-18-33(25,26)4/h9,13-14,20-21,23-27,38H,6-8,10-12,15-19H2,1-5H3/t20-,21?,23+,24+,25+,26+,27+,32+,33-/m1/s1
• InChIKey: RMGLSQAGXRZCPZ-OVHOIDCTSA-N

Properties

• Density: 1.207g/cm³ (Cal.)
• Boiling point: 682.567°C at 760 mmHg (Cal.)
• Flash point: 366.603°C (Cal.)