CID 10461106

Base Information

• Chemical Name: CID 10461106
• CAS No.: 80474-71-1
• Molecular Formula: C₂₄H₂₉F₂IO₅S
• Molecular Weight: 594.459
• DSSTox Substance ID: DTXSID001101647

Synonyms:80474-71-1;DTXSID001101647;[(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11-hydroxy-17-(iodomethylsulfanylcarbonyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] acetate;Androsta-1,4-diene-17-carbothioic acid, 17-(acetyloxy)-6,9-difluoro-11-hydroxy-16-methyl-3-oxo-, S-(iodomethyl) ester, (6alpha,11beta,16alpha,17alpha)-

Chemical Property of CID 10461106

Chemical Property:

• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 594.07485
• Heavy Atom Count: 33
• Complexity: 971

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MSDS Files:

Useful:

• Canonical SMILES: CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)SCI)OC(=O)C)C)O)F)C)F
• Isomeric SMILES: C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)SCI)OC(=O)C)C)O)F)C)F

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