Basic information
- CAS
252990-19-5- Standard SMILES
CCCCNCC(O)c1cc(Cl)cc2c1-c1ccc(Cl)cc1/C2=C/c1ccc(Cl)cc1- InChIKey
YLBUTQNEBVPTES-NHDPSOOVSA-N- Molecular formula
- C26H24Cl3NO
- Average molar mass
- 472.8 g/mol
- Monoisotopic mass
- 471.092347
Overview
structure in first source
Names & identifiers
- Preferred name
- Desbutyllumefantrine
- IUPAC
- 2-(butylamino)-1-[(9Z)-2,7-dichloro-9-[(4-chlorophenyl)methylidene]fluoren-4-yl]ethanol
- English name
- Desbutyl LuMefantrine
- Molecular formula
- C26H24Cl3NO
- Molecular weight
- 472.83
Names & synonyms
Desbutyl lumefantrine355841-11-1DesbutyllumefantrineDesbutyl-benflumetol07L7O84HGWDTXSID104330279H-Fluorene-4-methanol, alpha-((butylamino)methyl)-2,7-dichloro-9-((4-chlorophenyl)methylene)-, (9Z)-RefChem:132140DTXCID50383855252990-19-5(Z)-Desbutyl Lumefantrinedesbutyl-lumefantrine
Show more names
Desbutyl LuMefantrine (E/Z-Mixture)Desbutyl Lumefantrine (Mixture of Z and E Isomers)Desbutyl LuMefantrine (E/Z-Mixture) See D289345 for pure (Z)Desbutyl LuMefantrine (E/Z-Mixture) Discontinued See D289345 for pure (Z)9H-Fluorene-4-methanol, α-[(butylamino)methyl]-2,7-dichloro-9-[(4-chlorophenyl)methylene]-
C26H24Cl3NO(Z)-2-(Butylamino)-1-(2,7-dichloro-9-(4-chlorobenzylidene)-9H-fluoren-4-yl)ethanol2-(BUTYLAMINO)-1-[(9Z)-2,7-DICHLORO-9-[(4-CHLOROPHENYL)METHYLIDENE]FLUOREN-4-YL]ETHANOLDesbutylbenflumetolUNII-07L7O84HGWDesbutyl benflumetolorb1709897SCHEMBL29711450
Database identifiers
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 605
Physicochemical properties
- Melting point
- 68 · 68-72°C
- Boiling point
- 626.8 · 626.8±55.0 °C(Predicted)
- Density
- 1.321 · 1.321±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer, Under Inert Atmosphere
- pka
- 13.48 · 13.48±0.20(Predicted)
- FDA UNII
- 7 L7O84HGW · 07L7O84HGW
Chemistry & industry
Pharmacology
Tissue LocationsKidney
Cellular LocationsCytoplasm
Applications
UsesA metabolite of Lumefantrine (L474000).
Suppliers8 total
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海维亦特生物科技有限公司15317051735 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
陕西缔都医药化工有限公司029-81154043 17391733319 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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