Basic information
- CAS
57935-66-7- Standard SMILES
CN1C[C@H](COC(=O)c2cncc(Br)c2)C[C@]2(O)c3cccc4c3c(cn4C)C[C@@H]12- InChIKey
PCKJONBQKJQXEK-ZTWLPKFNSA-N- Molecular formula
- C23H24BrN3O3
- Average molar mass
- 470.4 g/mol
- Monoisotopic mass
- 469.1001
Names & identifiers
- Preferred name
- Nicergoline EP Impurity E
- IUPAC
- [(6aR,9R,10aS)-10a-hydroxy-4,7-dimethyl-6a,8,9,10-tetrahydro-6H-indolo[4,3-fg]quinolin-9-yl]methyl 5-bromopyridine-3-carboxylate
- English name
- Ergoline-8-methanol, 10-hydroxy-1,6-dimethyl-, 8-(5-bromo-3-pyridinecarboxylate), (8β)-
- Molecular formula
- C23H24BrN3O3
- Molecular weight
- 470.37
Names & synonyms
Nicergoline EP Impurity E57935-66-710alpha-Hydroxy Nicergoline((6aR,9R,10aS)-10a-hydroxy-4,7-dimethyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl)methyl 5-bromonicotinate10?-Hydroxy Nicergoline10|A-Hydroxy NicergolineNicergolineImpurity210-Hydroxynicergoline10α-Hydroxy NicergolineNicergoline EP Impurity 7Ergoline-8-methanol Indolo[4,3-fg]quinoline DerivativeErgoline-8-methanol, 10-hydroxy-1,6-dimethyl-, 8-(5-bromo-3-pyridinecarboxylate), (8β)-
Database identifiers
- CAS
57935-66-7- PubChem CID
- 14768166
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 67.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 666
Physicochemical properties
- Boiling point
- 621.7 · 621.7±55.0 °C(Predicted)
- Density
- 1.54 · 1.54±0.1 g/cm3(Predicted)
- pka
- 13.8 · 13.80±0.40(Predicted)
Chemistry & industry
Applications
Uses10α-Hydroxy Nicergoline is an impurity of Nicergoline (N394550) which is a drug used for age-dependent cognitive impairment such as Alzheimers disease and other types of dementia. Nicergoline has shown to protect cultured neurons against β-amyloid toxicity. Nicergoline protects against neuronal cell death induced by activated microglia and astrocytes through the inhibition of inflammatory mediators and the upregulation of neurotrophic factors by glial cells. Nicergoline is a drug used for age-dependent cognitive impairment and it protects cultured neurons against β-amyloid toxicity.
Suppliers28 total
济南百隆化学有限公司[email protected] · [email protected]
南京望知星医药科技有限公司18569809817 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
济南启源生物科技有限公司18766124282; 18766124282 · [email protected]
希瓦生物科技（广州）有限公司13268215580 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
Moxin Chemicals+86-17320513646 +86-17320513646 · [email protected]
杭州云易国科生物科技有限公司18457506494 · [email protected]
北京康派森医药科技有限公司
Related reactions
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Compound notes
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