Dihydrotestosterone 17-bromoacetate
Basic information
- CAS
66656-21-1- Standard SMILES
C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OC(=O)CBr)CC[C@@H]12- InChIKey
LAKSCXFGORLJCZ-HGBUANBSSA-N- Molecular formula
- C21H31BrO3
- Average molar mass
- 411.4 g/mol
- Monoisotopic mass
- 410.14566
Names & identifiers
- Preferred name
- Dihydrotestosterone 17-bromoacetate
- IUPAC
- [(5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] 2-bromoacetate
- English name
- dihydrotestosterone 17-bromoacetate
- Molecular formula
- C21H31BrO3
- Molecular weight
- 411.37
Names & synonyms
DHTBA66656-21-117-BromoacetoxydihydrotestosteroneDihydrotestosterone 17-bromoacetateRefChem:133958(5 alpha,17 beta)-17-((bromoacetyl)oxy)androstan-3-oneSCHEMBL5832904DTXSID709852393-oxoandrostan-17-yl bromoacetate5alpha-Dihydrotestosterone 17-bromoacetate3-Oxo-5alpha-androstan-17beta-yl bromoacetate17beta-((Bromoacetyl)oxy)-5alpha-androstan-3-one
Show more names
Androstan-3-one, 17-[(bromoacetyl)oxy]-, (5α,17β)- (9CI)
(5alpha,17beta)-17-((Bromoacetyl)oxy)androstan-3-oneAndrostan-3-one, 17-((bromoacetyl)oxy)-, (5alpha,17beta)-
Database identifiers
- CAS
66656-21-1- PubChem CID
- 128336
- DTXSID
DTXSID70985239
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 575
Physicochemical properties
- Boiling point
- 469.617 · 469.617±35.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.303 · 1.303±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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