Pyrrolidine, 1-(2-((7,15,16,17-tetrahydro-17,17-dimethyl-6H-cyclopenta(a)phenanthren-3-yl)oxy)ethyl)-
Basic information
- CAS
61265-81-4- Standard SMILES
CC1(C)CCc2c1ccc1c2CCc2cc(OCCN3CCCC3)ccc2-1- InChIKey
PMVGQBXQIGQQAY-UHFFFAOYSA-N- Molecular formula
- C25H31NO
- Average molar mass
- 361.5 g/mol
- Monoisotopic mass
- 361.24056461
Names & identifiers
- Preferred name
- Pyrrolidine, 1-(2-((7,15,16,17-tetrahydro-17,17-dimethyl-6H-cyclopenta(a)phenanthren-3-yl)oxy)ethyl)-
- IUPAC
- 1-[2-[(17,17-dimethyl-6,7,15,16-tetrahydrocyclopenta[a]phenanthren-3-yl)oxy]ethyl]pyrrolidine
Names & synonyms
3-(2-Pyrrolidinylethoxy)-17,17-dimethylgona-1,3,5(10),8,11,13-hexaene61265-81-4Pyrrolidine, 1-(2-((7,15,16,17-tetrahydro-17,17-dimethyl-6H-cyclopenta(a)phenanthren-3-yl)oxy)ethyl)-DTXSID80210165RefChem:377958DTXCID80132656CHEMBL327570717,17-Dimethyl-3-[2-(pyrrolidin-1-yl)ethoxy]gona-1,3,5(10),8,11,13-hexaene
Database identifiers
- CAS
61265-81-4- PubChem CID
- 3045884
- DTXSID
DTXSID80210165- ChEMBL
CHEMBL3275707
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 510
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Compound notes
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