8-Azaquinestrol
Basic information
- CAS
29199-51-7- Standard SMILES
C#C[C@@]1(O)CC[C@H]2N3CCc4cc(OC5CCCC5)ccc4[C@H]3CC[C@@]21C- InChIKey
QGWWASIHPVPJHT-JLLPCOHGSA-N- Molecular formula
- C24H31NO2
- Average molar mass
- 365.5 g/mol
- Monoisotopic mass
- 365.23547923
Names & identifiers
- Preferred name
- 8-Azaquinestrol
- IUPAC
- (1R,11R,14S,15S)-5-cyclopentyloxy-14-ethynyl-15-methyl-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),3,5-trien-14-ol
- English name
- (17R)-3-(Cyclopentyloxy)-8-aza-19-norpregna-1,3,5(10)-trien-20-yn-17-ol
- Molecular weight
- 365.51
Names & synonyms
29199-51-78-AzaquinestrolBRN 15032733-(Cyclopentyloxy)-8-aza-19-nor-17-alpha-pregna-1,3,5(10)-trien-20-yn-17-ol8-Aza-19-norpregna-1,3,5(10)-trien-20-yn-17-ol, 3-(cyclopentyloxy)-, (17-alpha)-DTXSID309517938-AZA-19-NOR-17-alpha-PREGNA-1,3,5(10)-TRIEN-20-YN-17-OL, 3-(CYCLOPENTYLOXY)-(1S,3aR,10bR,12aS)-8-(cyclopentyloxy)-1-ethynyl-12a-methyl-1,2,3,3a,5,6,10b,11,12,12a-decahydrocyclopenta[5,6]pyrido[2,1-a]isoquinolin-1-ol8-(Cyclopentyloxy)-1-ethynyl-12a-methyl-1,2,3,3a,5,6,10b,11,12,12a-decahydrocyclopenta[5,6]pyrido[2,1-a]isoquinolin-1-ol(17R)-3-(Cyclopentyloxy)-8-aza-19-norpregna-1,3,5(10)-trien-20-yn-17-ol
Database identifiers
- CAS
29199-51-7- PubChem CID
- 34518
- DTXSID
DTXSID30951793
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 619
Physicochemical properties
- Boiling point
- 509.302 · 509.302±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.196 · 1.196±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.996 · 12.996±0.40(predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…