(11beta)-11,17,21-trihydroxy-Pregna-1,4-diene-3,20-dione mixt. with 5-chloro-2-(2,4-dichlorophenoxy)phenol, 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide monohydrochloride and (R)-2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide
[CAS# 130377-60-5]

Identification

• Name: (11beta)-11,17,21-trihydroxy-Pregna-1,4-diene-3,20-dione mixt. with 5-chloro-2-(2,4-dichlorophenoxy)phenol, 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide monohydrochloride and (R)-2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide
• Synonyms: 5-Chloro-2-(2,4-Dichlorophenoxy)Phenol; 2-Diethylamino-N-(2,6-Dimethylphenyl)Acetamide; (8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-17-(2-Hydroxyacetyl)-10,13-Dimethyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-3-One; (2R)-2,4-Dihydroxy-N-(3-Hydroxypropyl)-3,3-Dimethyl-Butanamide; Hydrochloride; 5-Chloro-2-(2,4-Dichlorophenoxy)Phenol
• Molecular Formula: C₅₆H₇₇Cl₄N₃O₁₂
• Molecular Weight: 1126.05
• CAS Registry Number: 130377-60-5
• SMILES: N(C(=O)[C@H](O)C(CO)(C)C)CCCO.[C@]14([C@H]([C@H]3[C@H]([C@@H](O)C1)[C@@]2(C(=CC(=O)C=C2)CC3)C)CC[C@]4(O)C(=O)CO)C.[H+].C5=CC(=CC(=C5OC6=C(Cl)C=C(Cl)C=C6)O)Cl.[Cl-].C(N(CC)CC)C(=O)NC7=C(C=CC=C7C)C
• InChI: 1S/C21H28O5.C14H22N2O.C12H7Cl3O2.C9H19NO4.ClH/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;1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4;13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16;1-9(2,6-12)7(13)8(14)10-4-3-5-11;/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3;7-9H,5-6,10H2,1-4H3,(H,15,17);1-6,16H;7,11-13H,3-6H2,1-2H3,(H,10,14);1H/t14-,15-,16-,18+,19-,20-,21-;;;7-;/m0..0./s1
• InChIKey: FYBPKUIKUPJSGB-WRGLNDQXSA-N

Properties

• Boiling point: 570.6°C at 760 mmHg (Cal.)
• Flash point: 313°C (Cal.)