N-(Ouabain)-N'-(2-nitro-4-azidophenyl)ethylenediamine
[CAS# 68613-44-5]

Identification

• Name: N-(Ouabain)-N'-(2-nitro-4-azidophenyl)ethylenediamine
• Synonyms: 4-[(3S,5S,8R,9S,10R,11R,13R,17R)-3-[[(2R,6R,7S)-4-[2-[(4-Azido-2-Nitro-Phenyl)Amino]Ethyl]-6-Hydroxy-7-Methyl-1,4-Oxazepan-2-Yl]Oxy]-5,11,14-Trihydroxy-10-(Hydroxymethyl)-13-Methyl-2,3,4,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-5H-Furan-2-One; 4-[(3S,5S,8R,9S,10R,11R,13R,17R)-3-[[(2R,6R,7S)-4-[2-[(4-Azido-2-Nitro-Phenyl)Amino]Ethyl]-6-Hydroxy-7-Methyl-1,4-Oxazepan-2-Yl]Oxy]-5,11,14-Trihydroxy-13-Methyl-10-Methylol-2,3,4,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-5H-Furan-2-One; Card-20(22)-Enolide, 3-((4-(2-((4-Azido-1-Nitrophenyl)Amino)Ethyl)Hexahydro-6-Hydroxy-7-Methyl-1,4-Oxazepin-2-Yl)Oxy)-5,11,14,19-Tetrahydroxy-, (3Beta(2R,6R,7S),5Beta,11Alpha)-
• Molecular Formula: C₃₇H₅₂N₆O₁₁
• Molecular Weight: 756.85
• CAS Registry Number: 68613-44-5
• SMILES: [N+](=NC7=CC=C(NCCN6C[C@H](O[C@@H]5C[C@]4(O)[C@@]([C@@H]1[C@H](C2(O)[C@](C[C@H]1O)([C@H](CC2)C3=CC(OC3)=O)C)CC4)(CC5)CO)O[C@H]([C@H](O)C6)C)C(=C7)[N+]([O-])=O)=[N-]
• InChI: 1S/C37H52N6O11/c1-21-30(46)17-42(12-11-39-27-4-3-23(40-41-38)14-28(27)43(50)51)18-32(53-21)54-24-5-8-35(20-44)33-26(6-9-36(35,48)15-24)37(49)10-7-25(22-13-31(47)52-19-22)34(37,2)16-29(33)45/h3-4,13-14,21,24-26,29-30,32-33,39,44-46,48-49H,5-12,15-20H2,1-2H3/t21-,24-,25+,26+,29+,30+,32-,33+,34+,35-,36-,37?/m0/s1
• InChIKey: BICSGSOPCZUGJV-UXGVZPBUSA-N