Cioteronel
Basic information
- CAS
105635-64-1- Standard SMILES
CCC(CCCCC1CCC2CC(=O)CC12)OC- InChIKey
KDULJHFMZBRAHO-UHFFFAOYSA-N- Molecular formula
- C16H28O2
- Average molar mass
- 252.39 g/mol
- Monoisotopic mass
- 252.20893013
Overview
Cioteronel is a cyclic ketone.
Names & identifiers
- Preferred name
- Cioteronel
- IUPAC
- 4-(5-methoxyheptyl)-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-one
- English name
- Cioteronel
- Molecular formula
- C16H28O2
- Molecular weight
- 252.39
Names & synonyms
CIOTERONEL89672-11-7exandronX-AndronCioteronelumCPC-10997Ethoxyheptyl Bicyclooctanone6-(5-Methoxy-1-heptyl)bicyclo(3,3,0)octan-3-one1RTH95874ZCPC 10997DTXSID508690282(1H)-Pentalenone, hexahydro-4-(5-methoxyheptyl)-
Show more names
Unii-1rth95874zCioteronelum [inn-latin]6-(5-Methoxyheptyl)bicyclo[3.3.0]octan-3-one
RefChem:918668DTXCID90817063CPC10997Cyoctol4-(5-methoxyheptyl)-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-one105635-64-1Cyoctol; Exandron; X-Andron1,5-Cis-verknupften
Database identifiers
- CAS
105635-64-1、89672-11-7- PubChem CID
- 55994
- DTXSID
DTXSID50869028- ChEMBL
CHEMBL2104105- ChEBI
CHEBI:135030- UNII
- 1RTH95874Z
- Nikkaji
- J408.683J
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 274
Physicochemical properties
- FDA UNII
- 1 RTH95874Z · 1RTH95874Z
Chemistry & industry
Applications
UsesAnti-androgen.
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: Cioteronel is a cyclic ketone.
Related reactions
11 records
Compound notes
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