6-Bromoandrost-4-ene-3,17-dione
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Basic information
- CAS
38632-00-7- Standard SMILES
C[C@]12CCC(=O)C=C1[C@H](Br)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12- InChIKey
HAWQRBIGKRAICT-DQXCSHPPSA-N- Molecular formula
- C19H25BrO2
- Average molar mass
- 365.311 g/mol
- Monoisotopic mass
- 364.10379214
Names & identifiers
- Preferred name
- 6-Bromoandrost-4-ene-3,17-dione
- IUPAC
- 6beta-Bromoandrost-4-ene-3,17-dione
- English name
- (6b)-6-Bromoandrost-4-ene-3,17-dione
- Molecular formula
- C19H25BrO2
- Molecular weight
- 365.3
Names & synonyms
6-BroMo androstane6-bromoandrostenedione6-BRONMANDROSTENEDIONE6b-Bromo Androstenedione6β-Bromo Androstenedione6b-BroMoandrost-4-ene-3,17-dione6a/b-bromo-androst-4-ene-3,17-dione(6b)-6-Bromoandrost-4-ene-3,17-dioneAndrost-4-ene-3,17-dione, 6-bromo-, (6β)-
Database identifiers
- CAS
38632-00-7- PubChem CID
- 161972
- DTXSID
DTXSID10959474- ChEMBL
CHEMBL5275714- UNII
- RJEYOWUDT6
- Nikkaji
- J362.884A
Properties
Physicochemical properties
- Melting point
- 158 · 158-163°C (dec.)
- Boiling point
- 467 · 467.0±45.0 °C(Predicted)
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer, Under Inert Atmosphere
- solubility
- Chloroform (Slightly), Methanol (Very Slightly. Heated. Sonicated)
- form
- Solid
- color
- White to Light Yellow
- InChI
- InChI=1/C19H25BrO2/c1-18-7-5-11(21)9-15(18)16(20)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h9,12-14,16H,3-8,10H2,1-2H3/t12-,13-,14-,16+,18+,19-/s3
- InChIKey
- HAWQRBIGKRAICT-FVLJVGQVNA-N
- SMILES
- C1=C2[C@H](Br)C[C@]3([C@]4([H])CCC(=O)[C@@]4(C)CC[C@]3([H])[C@@]2(C)CCC1=O)[H] |&1:2,5,6,12,16,18,r|
- FDA UNII
- 6 · RJEYOWUDT6
Chemistry & industry
Applications
UsesAndrostenedione (A637550) analog, an aromatase inhibitor
UsesAndrostenedione analog, an aromatase inhibitor
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Related reactions
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Compound notes
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