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acebrochol
Sign in to saveAcebrochol (INN), also known as cholesteryl acetate dibromide or 5α,6β-dibromocholestan-3β-ol acetate, is a neuroactive steroid which was described as a sedative and hypnotic but was never marketed.
Chemical data
- Formula
- C29H48Br2O2
- Molecular weight
- 588.5 g/mol
- IUPAC name
- [(4S,6R,8S,9S,10R,13R,14S,17R)-4,6-dibromo-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
- SMILES
- C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H](C4[C@@]3(CCC([C@H]4Br)OC(=O)C)C)Br)C
- InChIKey
- NJTAPFKGQYWFQM-WNQILTAPSA-N
- XLogP
- 10.5
- Polar surface area
- 26.3 Ų
- H-bond donors
- 0
- H-bond acceptors
- 2
- Formal charge
- 0
via PubChem
Wikidata facts
- Subclass of
- chemical compound
- Mass
- 586.202104976
Show 4 more facts
- chemical formula
- C₂₉H₄₈Br₂O₂
- canonical SMILES
- CC(C)CCCC(C)C1CCC2C1(CCC3C2CC(C4C3(CCC(C4Br)OC(=O)C)C)Br)C
- World Health Organisation international non-proprietary name
- acebrochol
- isomeric SMILES
- C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H](C4[C@@]3(CCC([C@H]4Br)OC(=O)C)C)Br)C
Sources (1)
via Wikidata · CC0
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Encyclopedic overview
3 sectionsContents
- Chemistry
- See also
- References
Acebrochol (INN), also known as cholesteryl acetate dibromide or 5α,6β-dibromocholestan-3β-ol acetate, is a neuroactive steroid which was described as a sedative and hypnotic but was never marketed.
==Chemistry==
Excerpted from Wikipedia’s “acebrochol” article, available under the CC BY-SA 4.0 licence.
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