Basic information
- Standard SMILES
CCC(=O)OC1(C(=O)SCF)C(C)CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC21C- InChIKey
WMWTYOKRWGGJOA-UHFFFAOYSA-N- Molecular formula
- C25H31F3O5S
- Average molar mass
- 500.6 g/mol
- Monoisotopic mass
- 500.18442974
Names & identifiers
- Preferred name
- [6,9-Difluoro-17-(fluoromethylsulfanylcarbonyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate
- IUPAC
- [6,9-difluoro-17-(fluoromethylsulfanylcarbonyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate
Names & synonyms
C25H31F3O5S6,9-difluoro-17-{[(fluoromethyl)sulfanyl]carbonyl}-11-hydroxy-16-methyl-3-oxoandrosta-1,4-dien-17-yl propanoate[6,9-difluoro-17-(fluoromethylsulfanylcarbonyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoateorb1310855SCHEMBL13026160DTXSID90861026WMWTYOKRWGGJOA-UHFFFAOYSA-NHMS5080F13s1992STL454191AKOS037482521ICX5609031
Show more names
LS-15119(6alpha,11beta,16alpha,17alpha)-6,9-Difluoro-11-hydroxy-16-methyl-3-oxo-17-(1-oxopropoxy)androsta-1,4-diene-17-carbothioic acid S-(fluoromethyl) esterAndrosta-1,4-diene-17-carbothioic acid, 6,9-difluoro-11-hydroxy-16-methyl-3-oxo-17-(1-oxopropoxy)-,(6.alpha.,11.beta.,16.alpha.,17.alpha.)-S-(fluoromethyl) esterS-(Fluoromethyl) 6.alpha.,9-difluoro-11.beta.,17-dihydroxy-16.alpha.-methyl-3-oxoandrosta-1,4-diene-17.beta.-carbothioate, 17-propionate
Database identifiers
- PubChem CID
- 3399
- DTXSID
DTXSID90861026
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 984
Experimental & physicochemical properties
DrugsPharmaceuticals
Related reactions
0 records
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Compound notes
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