Basic information
- CAS
88578-07-8- Standard SMILES
COc1cc(C(O)CNC(C)CCn2cnc3ccccc32)ccc1O- InChIKey
NKKPVWPMPWLEMY-UHFFFAOYSA-N- Molecular formula
- C20H25N3O3
- Average molar mass
- 355.4 g/mol
- Monoisotopic mass
- 355.18959167
Names & identifiers
- Preferred name
- Imoxiterol
- IUPAC
- 4-[2-[4-(benzimidazol-1-yl)butan-2-ylamino]-1-hydroxyethyl]-2-methoxyphenol
- English name
- Imoxiterol
- Molecular formula
- C20H25N3O3
- Molecular weight
- 355.43
Names & synonyms
Imoxiterol88578-07-8Imoxiterol [INN]RP 58802B4-[2-[4-(benzimidazol-1-yl)butan-2-ylamino]-1-hydroxyethyl]-2-methoxyphenolUR4924C6G22-(3-(1-Benzimidazolyl)-1-methylpropylamino)-1-(4-hydroxy-3-methoxyphenyl)ethanolImoxiterolumImoxiterolum [Latin]UNII-UR4924C6G2SCHEMBL249468CHEMBL2104918
Show more names
RP-588024-Hydroxy-3-methoxy-α-[[[3-(1H-benzimidazol-1-yl)-1-methylpropyl]amino]methyl]benzenemethanolBenzenemethanol, α-[[[3-(1H-benzimidazol-1-yl)-1-methylpropyl]amino]methyl]-4-hydroxy-3-methoxy-
DTXSID50869008NDA57807MFCD00869165AKOS040741875CS-6651DA-54291MS-25562HY-101585
Database identifiers
- CAS
88578-07-8- PubChem CID
- 65665
- DTXSID
DTXSID50869008- ChEMBL
CHEMBL2104918- UNII
- UR4924C6G2
- Nikkaji
- J22.762E
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 79.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 425
Physicochemical properties
- Boiling point
- 590.3 · 590.3±60.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- form
- Solid
- pka
- 10.02 · 10.02±0.31(Predicted)
- color
- Light brown to brown
- FDA UNII
- 4924 C6G2 · UR4924C6G2
Chemistry & industry
Applications
UsesImoxiterol (RP 58802B) is a β-adrenergic agonist.
Suppliers6 total
Aladdin Scientific[email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
范德(北京)生物科技有限责任公司15911056312 · [email protected]
ChemeGen 中国18818260767 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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