Basic information
- CAS
3571-71-9- Standard SMILES
CC(C)NCC(O)c1cccc(O)c1- InChIKey
LVISWIXSNZQRHA-UHFFFAOYSA-N- Molecular formula
- C11H17NO2
- Average molar mass
- 195.26 g/mol
- Monoisotopic mass
- 195.12592879
Names & identifiers
- Preferred name
- 3-Hydroxy-alpha-(((1-methylethyl)amino)methyl)benzenemethanol
- IUPAC
- 3-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenol
- English name
- metaterol
- Molecular formula
- C11H17NO2
- Molecular weight
- 195.26
Names & synonyms
Metaterol3571-71-9MetaterolumKBU4V9QUHYm-Hydroxy-alpha-((isopropylamino)methyl)benzyl alcoholRefChem:10679693-Hydroxy-alpha-(((1-methylethyl)amino)methyl)benzenemethanol222-678-9Metaterol [INN]3-{1-hydroxy-2-[(propan-2-yl)amino]ethyl}phenol3-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenolIsopropylnoradrianol
Show more names
S-40045-93-[1-hydroxy-2-(isopropylamino)ethyl]phenolm-Hydroxy-α-[(isopropylamino)methyl]benzyl alcoholBenzenemethanol, 3-hydroxy-α-[[(1-methylethyl)amino]methyl]-
Metaterolum [Latin]Metaterolum [INN-Latin]EINECS 222-678-9UNII-KBU4V9QUHYBRN 2805325m-Hydroxy-alpha-(isopropylaminomethyl)benzyl alcohol3-Hydroxy-alpha-((isopropylamino)methyl)benzylalkoholS 40045-9
Database identifiers
- CAS
3571-71-9- PubChem CID
- 19136
- DTXSID
DTXSID10863209- ChEMBL
CHEMBL327122
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 52.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 161
Physicochemical properties
- Melting point
- 124 · 124-125 °C
- Boiling point
- 355.9 · 355.9±27.0 °C(Predicted)
- Density
- 1.099 · 1.099±0.06 g/cm3(Predicted)
- pka
- 9.76 · 9.76±0.10(Predicted)
- form
- Oil
- color
- Light yellow to yellow
- FDA UNII
- 4 V9QUHY · KBU4V9QUHY
Chemistry & industry
Applications
UsesMetaterol is a beta-adrenergic receptor agonist[1].
Suppliers2 total
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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