(11beta)-11,17,21-Trihydroxy-Pregn-4-ene-3,20-dione mixt. with 1-(2-(2,4-dichlorophenyl)-2-((2,4-dichlorophenyl)methoxy)ethyl)-1H-imidazole mononitrate
[CAS# 76391-78-1]

Identification

• Name: (11beta)-11,17,21-Trihydroxy-Pregn-4-ene-3,20-dione mixt. with 1-(2-(2,4-dichlorophenyl)-2-((2,4-dichlorophenyl)methoxy)ethyl)-1H-imidazole mononitrate
• Synonyms: 1-[2-(2,4-Dichlorophenyl)-2-[(2,4-Dichlorophenyl)Methoxy]Ethyl]Imidazole; (8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-17-(2-Hydroxy-1-Oxoethyl)-10,13-Dimethyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-3-One; Nitric Acid; 1-[2-(2,4-Dichlorobenzyl)Oxy-2-(2,4-Dichlorophenyl)Ethyl]Imidazole; (8S,9S,10R,11S,13S,14S,17R)-17-Glycoloyl-11,17-Dihydroxy-10,13-Dimethyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-3-One; Nitric Acid
• Molecular Formula: C₃₉H₄₅Cl₄N₃O₉
• Molecular Weight: 841.61
• CAS Registry Number: 76391-78-1
• SMILES: [C@H]34[C@H]2[C@@H]([C@@]1(C(=CC(=O)CC1)CC2)C)[C@@H](O)C[C@@]3([C@](O)(CC4)C(=O)CO)C.C7=C(C(OCC5=CC=C(Cl)C=C5Cl)C[N]6C=NC=C6)C(=CC(=C7)Cl)Cl.O=[N+]([O-])O
• InChI: 1S/C21H30O5.C18H14Cl4N2O.HNO3/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19;19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22;2-1(3)4/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3;1-8,11,18H,9-10H2;(H,2,3,4)/t14-,15-,16-,18+,19-,20-,21-;;/m0../s1
• InChIKey: VLRUDKDKSWHERE-OJJGEMKLSA-N

Properties

• Boiling point: 566.4°C at 760 mmHg (Cal.)
• Flash point: 310.4°C (Cal.)