3-Hydroxy-2-(4-morpholinylmethyl)estra-1,3,5(10)-trien-17-one
Basic information
- CAS
7249-00-5- Standard SMILES
C[C@]12CC[C@@H]3c4cc(CN5CCOCC5)c(O)cc4CC[C@H]3[C@@H]1CCC2=O- InChIKey
FJWJRQPFLAFCSE-KQZHTCIUSA-N- Molecular formula
- C23H31NO3
- Average molar mass
- 369.5 g/mol
- Monoisotopic mass
- 369.23039385
Overview
3-Hydroxy-2-(4-morpholinylmethyl)estra-1,3,5(10)-trien-17-one is a 3-hydroxy steroid.
Names & identifiers
- Preferred name
- 3-Hydroxy-2-(4-morpholinylmethyl)estra-1,3,5(10)-trien-17-one
- IUPAC
- (8R,9S,13S,14S)-3-hydroxy-13-methyl-2-(morpholin-4-ylmethyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
Names & synonyms
3-Hydroxy-2-(4-morpholinylmethyl)estra-1,3,5(10)-trien-17-one7249-00-5(8R,9S,13S,14S)-3-hydroxy-13-methyl-2-(morpholin-4-ylmethyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one2-MorpholinomethylestroneMLS002608007CHEBI:79451NSC36869NSC-36869Q27148514
Database identifiers
- CAS
7249-00-5- PubChem CID
- 235463
- ChEBI
CHEBI:79451- Nikkaji
- J861.483K
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 574
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Related reactions
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Compound notes
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