13-methyl-17-(piperidin-1-ylmethyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
Basic information
- CAS
16669-04-8- Standard SMILES
CC12CCC3c4ccc(O)cc4CCC3C1CCC2(O)CN1CCCCC1- InChIKey
YNUQPGKCYNHIBB-UHFFFAOYSA-N- Molecular formula
- C24H35NO2
- Average molar mass
- 369.5 g/mol
- Monoisotopic mass
- 369.26677936
Names & identifiers
- Preferred name
- 13-methyl-17-(piperidin-1-ylmethyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
- IUPAC
- 13-methyl-17-(piperidin-1-ylmethyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
Names & synonyms
16669-04-8NSC86071NCIOpen2_009450DTXSID50937231NSC-8607117-[(Piperidin-1-yl)methyl]estra-1(10),2,4-triene-3,17-diol
Database identifiers
- CAS
16669-04-8- PubChem CID
- 257682
- DTXSID
DTXSID50937231
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 43.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 546
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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