Basic information
- CAS
13577-86-1- Standard SMILES
C#CC1(O)CCC2C3CCC4=C(CCC(=O)C4)C3CCC21C- InChIKey
ICTXHFFSOAJUMG-UHFFFAOYSA-N- Molecular formula
- C20H26O2
- Average molar mass
- 298.4 g/mol
- Monoisotopic mass
- 298.19328007
Overview
See also: Norethynodrel (annotation moved to).
Names & identifiers
- Preferred name
- Infecundin
- IUPAC
- 17-ethynyl-17-hydroxy-13-methyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
Names & synonyms
Infecundin8-Isonorethynodrel13577-86-1MLS00263843417-ethynyl-17-hydroxy-13-methyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one17-Ethynyl-17-hydroxyestr-5(10)-en-3-oneNorethinynodrelNorethynodral17.alpha.-Ethinyl-5,10-estrenolone17.alpha.-Ethinyl-estra(5,10)eneolone17.alpha.-Ethynyl-5(10)-estren-17-ol-3-one17.alpha.-Ethynyl-17-hydroxy-5(10)-estren-3-one
Show more names
17.alpha.-Ethynylestr-5(10)-en-17.beta.-ol-3-one17.alpha.-Ethynyl-estr-5(10)-en-3-on-17.beta.-olEstr-5(10)-en-3-one, 17.alpha.-ethynyl-17-hydroxy-17.alpha.-Ethynyl-17.beta.-hydroxyestr-5(10)-en-3-one17-Hydroxy(17.alpha.)-19-norpregn-5(10)-en-20-yn-3-one17-Hydroxy-19-nor-17.alpha.-pregn-5(10)-en-20-yn-3-one17.alpha.-Ethynyl-19-nor-5(10)-androsten-17.beta.-ol-3-one19-nor-17.alpha.-Pregn-5(10)-en-20-yn-3-one, 17-hydroxy-
Database identifiers
- CAS
13577-86-1、68-23-5- PubChem CID
- 4537
- ChEMBL
CHEMBL1719162
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 606
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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