Cortisol-21-Hemisuccinate-Aminobutylethylisoluminol
[CAS# 80632-51-5]

Identification

• Name: Cortisol-21-Hemisuccinate-Aminobutylethylisoluminol
• Synonyms: [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-10,13-Dimethyl-3-Oxo-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-2-Oxo-Ethyl] 4-[4-[(1,4-Dioxo-2,3-Dihydrophthalazin-6-Yl)-Ethyl-Amino]Butylamino]-4-Oxo-Butanoate; 4-[4-[(1,4-Dioxo-2,3-Dihydrophthalazin-6-Yl)-Ethylamino]Butylamino]-4-Oxobutanoic Acid [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-10,13-Dimethyl-3-Oxo-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-2-Oxoethyl] Ester; 4-[4-[(1,4-Diketo-2,3-Dihydrophthalazin-6-Yl)-Ethyl-Amino]Butylamino]-4-Keto-Butyric Acid [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-3-Keto-10,13-Dimethyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-2-Keto-Ethyl] Ester
• Molecular Formula: C₃₉H₅₂N₄O₉
• Molecular Weight: 720.86
• CAS Registry Number: 80632-51-5
• 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)COC(=O)CCC(=O)NCCCCN(C6=CC5=C(C(=O)NNC5=O)C=C6)CC)C
• InChI: 1S/C39H52N4O9/c1-4-43(24-8-10-26-28(20-24)36(50)42-41-35(26)49)18-6-5-17-40-32(47)11-12-33(48)52-22-31(46)39(51)16-14-29-27-9-7-23-19-25(44)13-15-37(23,2)34(27)30(45)21-38(29,39)3/h8,10,19-20,27,29-30,34,45,51H,4-7,9,11-18,21-22H2,1-3H3,(H,40,47)(H,41,49)(H,42,50)/t27-,29-,30-,34+,37-,38-,39-/m0/s1
• InChIKey: UXFIMALKYCIGRQ-VJCKMISMSA-N

Properties

• Density: 1.343g/cm³ (Cal.)