5-[2-[[2-[2-[[2-[[(10R,13S,17S)-17-Hydroxy-10,13-Dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[a]Phenanthren-3-Ylidene]Amino]Oxyacetyl]Amino]Ethylsulfanyl]Acetyl]Amino]Ethylamino]Naphthalene-1-Sulfonic Acid
[CAS# 75585-80-7]

Identification

• Name: 5-[2-[[2-[2-[[2-[[(10R,13S,17S)-17-Hydroxy-10,13-Dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[a]Phenanthren-3-Ylidene]Amino]Oxyacetyl]Amino]Ethylsulfanyl]Acetyl]Amino]Ethylamino]Naphthalene-1-Sulfonic Acid
• Synonyms: 5-[2-[[2-[2-[[2-[[(10R,13S,17S)-17-Hydroxy-10,13-Dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-3-Ylidene]Amino]Oxy-1-Oxoethyl]Amino]Ethylthio]-1-Oxoethyl]Amino]Ethylamino]-1-Naphthalenesulfonic Acid; 5-[2-[[2-[2-[[2-[[(10R,13S,17S)-17-Hydroxy-10,13-Dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-3-Ylidene]Amino]Oxyacetyl]Amino]Ethylthio]Acetyl]Amino]Ethylamino]Naphthalene-1-Sulfonic Acid; 5-[2-[2-[2-[2-[[(10R,13S,17S)-17-Hydroxy-10,13-Dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-3-Ylidene]Amino]Oxyethanoylamino]Ethylsulfanyl]Ethanoylamino]Ethylamino]Naphthalene-1-Sulfonic Acid
• Molecular Formula: C₃₇H₅₀N₄O₇S₂
• Molecular Weight: 726.94
• CAS Registry Number: 75585-80-7
• SMILES: [C@]56(C(C4C([C@@]3(C(=CC(=N/OCC(=O)NCCSCC(=O)NCCNC1=CC=CC2=C([S](=O)(=O)O)C=CC=C12)\CC3)CC4)C)CC5)CC[C@@H]6O)C
• InChI: 1S/C37H50N4O7S2/c1-36-15-13-25(21-24(36)9-10-28-29-11-12-33(42)37(29,2)16-14-30(28)36)41-48-22-34(43)40-19-20-49-23-35(44)39-18-17-38-31-7-3-6-27-26(31)5-4-8-32(27)50(45,46)47/h3-8,21,28-30,33,38,42H,9-20,22-23H2,1-2H3,(H,39,44)(H,40,43)(H,45,46,47)/b41-25-/t28?,29?,30?,33-,36-,37-/m0/s1
• InChIKey: WFWAMPNZDXTYTJ-WHPYUFEKSA-N

Properties

• Density: 1.415g/cm³ (Cal.)