4-[2-(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-Ethoxy]-4-Oxo-Butanoic Acid
[CAS# 5714-75-0]

Identification

• Name: 4-[2-(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-Ethoxy]-4-Oxo-Butanoic Acid
• Synonyms: 2-[4-[3-(2-Chlorophenothiazin-10-Yl)Propyl]Piperazin-1-Yl]Ethanol; 4-[2-(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-Ethoxy]-4-Oxo-Butanoic Acid; 2-[4-[3-(2-Chloro-10-Phenothiazinyl)Propyl]-1-Piperazinyl]Ethanol; 4-[2-(11,17-Dihydroxy-10,13-Dimethyl-3-Oxo-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-17-Yl)-2-Oxoethoxy]-4-Oxobutanoic Acid; 2-[4-[3-(2-Chlorophenothiazin-10-Yl)Propyl]Piperazin-1-Yl]Ethanol; 4-[2-(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-Ethoxy]-4-Keto-Butyric Acid
• Molecular Formula: C₄₆H₅₈ClN₃O₉S
• Molecular Weight: 864.49
• CAS Registry Number: 5714-75-0
• SMILES: C2=C1N(C3=C(SC1=CC=C2Cl)C=CC=C3)CCCN4CCN(CC4)CCO.C(OC(=O)CCC(=O)O)C(=O)C8(O)C7(C(C6C(C5(C(=CC(=O)C=C5)CC6)C)C(O)C7)CC8)C
• InChI: 1S/C25H32O8.C21H26ClN3OS/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30;22-17-6-7-21-19(16-17)25(18-4-1-2-5-20(18)27-21)9-3-8-23-10-12-24(13-11-23)14-15-26/h7,9,11,16-18,22,27,32H,3-6,8,10,12-13H2,1-2H3,(H,29,30);1-2,4-7,16,26H,3,8-15H2
• InChIKey: QKKLKGVIECOSRM-UHFFFAOYSA-N

Properties

• Boiling point: 689.8°C at 760 mmHg (Cal.)
• Flash point: 233.5°C (Cal.)