Basic information
- CAS
60023-92-9- Standard SMILES
C[C@]12C=C(C(=O)O)C(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(C)O- InChIKey
JOFBZBDWOWPUMO-QARKFJNLSA-N- Molecular formula
- C21H28O5
- Average molar mass
- 360.4 g/mol
- Monoisotopic mass
- 360.19367399
Overview
Roxibolone is a small molecule drug. Roxibolone has a monoisotopic molecular weight of 360.19 Da.
Names & identifiers
- Preferred name
- Roxibolone
- IUPAC
- (8S,9S,10R,11S,13S,14S,17S)-11,17-dihydroxy-10,13,17-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-2-carboxylic acid
- English name
- Roxibolone
- Molecular formula
- C21H28O5
- Molecular weight
- 360.447
Names & synonyms
Roxibolone60023-92-9RoxibolonumroxibolonaBR-9063R7NLP419CDTXSID202087282-carboxy-11,17-dihydroxy-17-methyl-1,4-androstadien-3-oneRefChem:179987DTXCID701312192-carboxy-11-beta, 17 beta-dihydroxy-17-methyl-1, 4-androstadien-3-oneRoxibolone [INN]
Show more names
11β,17β-Dihydroxy-17-methyl-3-oxoandrosta-1,4-diene-2-carboxylic acid
(8S,9S,10R,11S,13S,14S,17S)-11,17-dihydroxy-10,13,17-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-2-carboxylic acidRoxibolonoRoxibolonum [INN-Latin]Roxibolono [INN-Spanish]UNII-3R7NLP419CBR 906SCHEMBL139012CHEMBL2105402
Database identifiers
- CAS
60023-92-9- PubChem CID
- 68795
- DTXSID
DTXSID20208728- ChEMBL
CHEMBL2105402- UNII
- 3R7NLP419C
- Nikkaji
- J18.477B
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 94.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 752
Physicochemical properties
- FDA UNII
- 3 R7NLP419C · 3R7NLP419C
Chemistry & industry
Suppliers2 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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