Basic information
- CAS
95656-68-1- Standard SMILES
CCC(C)(C)NCC(O)c1cc(Cl)c(N)c(C(F)(F)F)c1- InChIKey
KGOIKOVSEVRHNH-UHFFFAOYSA-N- Molecular formula
- C14H20ClF3N2O
- Average molar mass
- 324.77 g/mol
- Monoisotopic mass
- 324.1216254
Names & identifiers
- Preferred name
- Mapenterol
- IUPAC
- 1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-(2-methylbutan-2-ylamino)ethanol
- English name
- 1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-(2-methylbutan-2-ylamino)ethanol
- Molecular formula
- C14H20ClF3N2O
- Molecular weight
- 324.77
Names & synonyms
Mapenterol95656-68-1DTXSID10914886RefChem:925315DTXCID309811561-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-(2-methylbutan-2-ylamino)ethanolMapenterol - API StandardsSCHEMBL11026998MSK1379-100MMSK1379-1000M1-[4-Amino-3-chloro-5-(trifluoromethyl)phenyl]-2-[(2-methylbutan-2-yl)amino]ethan-1-olBenzenemethanol, 4-amino-3-chloro-alpha-(((1,1-dimethylpropyl)amino)methyl)-5-(trifluoromethyl)-
Show more names
Benzenemethanol, 4-amino-3-chloro-α-[[(1,1-dimethylpropyl)amino]methyl]-5-(trifluoromethyl)-
Mapenterol Solution in Methanol, 1000ug/mLNS000001641-(4'-Amino-3'-chloro-5'-trifluoromethyl-phenyl)-2-tert.pentylamino-ethanolMapenterol Solution in Methanol, 100ug/mL; 1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-(2-methylbutan-2-ylamino)ethanolMapenterol; Benzenemethanol, 4-amino-3-chloro-a-[[(1,1-dimethylpropyl)amino]methyl]-5-(trifluoromethyl)-; 4-Amino-3-chloro-a-[[(1,1-dimethylpropyl)amino]methyl]-5-(trifluoromethyl)benzenemethanol; Mapenterol
Database identifiers
- CAS
95656-68-1- PubChem CID
- 178787
- DTXSID
DTXSID10914886- Nikkaji
- J624.189A
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 58.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 339
Experimental & physicochemical properties
Collision Cross Section172.36 Ų [M+H]+
Chemistry & industry
Applications
UsesMapenterol is the free base of Mapenterol Hydrochloride (M187000) which is a related drug of Clenbuterol (C569998), a β-agonist which can be used as a growth promoter in farm animals.
Suppliers3 total
上海艾梯西生物科技有限公司18721763493 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
上海安谱实验科技股份有限公司18502138905 · [email protected]
Related reactions
2 records
Compound notes
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