Basic information
- CAS
58193-99-0- Standard SMILES
CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC(=C(Br)Br)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C- InChIKey
ZVBFVKPTXOYOHX-WTBQFDOKSA-N- Molecular formula
- C23H30Br2O3
- Average molar mass
- 514.3 g/mol
- Monoisotopic mass
- 512.05617
Overview
6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate is a steroid ester.
Names & identifiers
- Preferred name
- 6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate
- IUPAC
- [(8R,9S,10R,13S,14S,17S)-6-(dibromomethylidene)-10,13-dimethyl-3-oxo-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl] propanoate
Names & synonyms
6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate6-(Dibromomethylene)testosterone, propionateCHEBI:79861NSC569406-(DIBROMOMETHYLENE)TESTOSTERONE PROPIONATEQ271489996-(Dibromomethylene)-17-.beta.-(1-oxo-propoxy)androst-4-en-3-one
Database identifiers
- CAS
58193-99-0- PubChem CID
- 245225
- ChEBI
CHEBI:79861- Nikkaji
- J2.794.083H
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 766
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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