7-(Aziridin-1-yl)pregn-4-ene-3,20-dione
Basic information
- CAS
24147-64-6- Standard SMILES
CC(=O)C1CCC2C3C(N4CC4)CC4=CC(=O)CCC4(C)C3CCC12C- InChIKey
FNKWWXZAIWNFFS-UHFFFAOYSA-N- Molecular formula
- C23H33NO2
- Average molar mass
- 355.5 g/mol
- Monoisotopic mass
- 355.2511293
Names & identifiers
- Preferred name
- 7-(Aziridin-1-yl)pregn-4-ene-3,20-dione
- IUPAC
- 17-acetyl-7-(aziridin-1-yl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Names & synonyms
MLS00270421724147-64-67-(aziridin-1-yl)pregn-4-ene-3,20-dioneNSC110290CHEMBL1876247DTXSID00946974NSC-110290SMR001570922
Database identifiers
- CAS
24147-64-6- PubChem CID
- 269332
- DTXSID
DTXSID00946974- ChEMBL
CHEMBL1876247
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 37.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 692
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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