Cortisol-21-Hemisuccinate-Aminobutylisoluminol
[CAS# 80632-50-4]

Identification

• Name: Cortisol-21-Hemisuccinate-Aminobutylisoluminol
• 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)Amino]Butylamino]-4-Oxo-Butanoate; 4-[4-[(1,4-Dioxo-2,3-Dihydrophthalazin-6-Yl)Amino]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)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: C₃₇H₄₈N₄O₉
• Molecular Weight: 692.81
• CAS Registry Number: 80632-50-4
• SMILES: [C@@H]23CCC1=CC(CC[C@@]1([C@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(COC(CCC(NCCCCNC6=CC5=C(C(NNC5=O)=O)C=C6)=O)=O)=O)O)C)O)C)=O
• InChI: 1S/C37H48N4O9/c1-35-13-11-23(42)17-21(35)5-7-25-27-12-14-37(49,36(27,2)19-28(43)32(25)35)29(44)20-50-31(46)10-9-30(45)39-16-4-3-15-38-22-6-8-24-26(18-22)34(48)41-40-33(24)47/h6,8,17-18,25,27-28,32,38,43,49H,3-5,7,9-16,19-20H2,1-2H3,(H,39,45)(H,40,47)(H,41,48)/t25-,27-,28-,32+,35-,36-,37-/m0/s1
• InChIKey: NCVNXZMHSDAIBY-YMHOGYMYSA-N

Properties

• Density: 1.369g/cm³ (Cal.)