Prednazoline
[CAS# 6693-90-9]

Identification

• Name: Prednazoline
• Synonyms: [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-10,13-Dimethyl-3-Oxo-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-17-Yl]-2-Oxo-Ethyl] Dihydrogen Phosphate; 2-[(2-Isopropylphenoxy)Methyl]-4,5-Dihydro-1H-Imidazole; [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-10,13-Dimethyl-3-Oxo-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-17-Yl]-2-Oxoethyl] Dihydrogen Phosphate; 2-[(2-Isopropylphenoxy)Methyl]-4,5-Dihydro-1H-Imidazole; [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-3-Keto-10,13-Dimethyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-17-Yl]-2-Keto-Ethyl] Dihydrogen Phosphate; 2-[(2-Isopropylphenoxy)Methyl]-4,5-Dihydro-1H-Imidazole
• Molecular Formula: C₃₄H₄₇N₂O₉P
• Molecular Weight: 658.73
• CAS Registry Number: 6693-90-9
• SMILES: [C@H]34[C@H]2[C@@H]([C@@]1(C(=CC(=O)C=C1)CC2)C)[C@@H](O)C[C@@]3([C@](C(CO[P](O)(O)=O)=O)(O)CC4)C.C5=CC=CC(=C5OCC6=NCCN6)C(C)C
• InChI: 1S/C21H29O8P.C13H18N2O/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19;1-10(2)11-5-3-4-6-12(11)16-9-13-14-7-8-15-13/h5,7,9,14-16,18,23,25H,3-4,6,8,10-11H2,1-2H3,(H2,26,27,28);3-6,10H,7-9H2,1-2H3,(H,14,15)/t14-,15-,16-,18+,19-,20-,21-;/m0./s1
• InChIKey: WBNNIURTBZHJTI-WDCKKOMHSA-N

Properties

• Boiling point: 674.8°C at 760 mmHg (Cal.)
• Flash point: 361.9°C (Cal.)