Basic information
- CAS
30781-27-2- Standard SMILES
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C- InChIKey
ANJGIFXUFSBZPX-WLCXVKOPSA-N- Molecular formula
- C20H25ClO3
- Average molar mass
- 348.9 g/mol
- Monoisotopic mass
- 348.1492223
Overview
androgen antagonist
Names & identifiers
- Preferred name
- Amadinone
- IUPAC
- (8R,9S,10R,13S,14S,17R)-17-acetyl-6-chloro-17-hydroxy-13-methyl-1,2,8,9,10,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
- English name
- Amadinone
- Molecular formula
- C20H25ClO3
- Molecular weight
- 348.86
Names & synonyms
Amadinone30781-27-2AmadinonaAmadinonum6MB06022N06-Chloro-17-hydroxy-19-norpregna-4,6-diene-3,20-dioneDTXSID40865559RefChem:111810DTXCID8015271546-chloro-17-acetoxy-19-norpregnane-4,6-diene-3,20-dioneAmadinone [INN]19-Norpregna-4,6-diene-3,20-dione, 6-chloro-17-hydroxy-
Show more names
(8R,9S,10R,13S,14S,17R)-17-acetyl-6-chloro-17-hydroxy-13-methyl-1,2,8,9,10,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one19-NorchlormadinoneAmadinonum [INN-Latin]Amadinona [INN-Spanish]UNII-6MB06022N06-Chloro-17-hydroxy-19-norpregna-4,6-dioneSCHEMBL141181orb1702565
Database identifiers
- CAS
30781-27-2- PubChem CID
- 10315768
- DTXSID
DTXSID40865559- UNII
- 6MB06022N0
- Nikkaji
- J20.602D
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 678
Physicochemical properties
- Boiling point
- 509.5 · 509.5±50.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- pka
- 12.86 · 12.86±0.60(Predicted)
- FDA UNII
- 6 MB06022N0 · 6MB06022N0
Chemistry & industry
Applications
UsesProgestin.
Upstream & downstream products
Upstream raw materials
Suppliers3 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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