Basic information
- CAS
3013645-18-3- Standard SMILES
COc1ccc(CC(C)(C)N2Cc3c(O)cc4c(c3[C@@H](O)C2)OCC(=O)N4)cc1- InChIKey
FTPSUPSLSTXASK-SFHVURJKSA-N- Molecular formula
- C22H26N2O5
- Average molar mass
- 398.5 g/mol
- Monoisotopic mass
- 398.18417193
Names & identifiers
- Preferred name
- (R)-Olodaterol Impurity 4
- IUPAC
- (10R)-6,10-dihydroxy-8-[1-(4-methoxyphenyl)-2-methylpropan-2-yl]-4,7,9,10-tetrahydropyrido[3,4-h][1,4]benzoxazin-3-one
- English name
- 2H-Pyrido[3,4-h]-1,4-benzoxazin-3(4H)-one, 7,8,9,10-tetrahydro-6,10-dihydroxy-8-[2-(4-methoxyphenyl)-1,1-dimethylethyl]-, (10R)-
- Molecular formula
- C22H26N2O5
- Molecular weight
- 398.45
Names & synonyms
FAL6N58FQL(R)-Olodaterol Impurity 4(10R)-7,8,9,10-Tetrahydro-6,10-dihydroxy-8-[2-(4-methoxyphenyl)-1,1-dimethylethyl]-2H-Pyrido[3,4-h]-1,4-benzoxazin-3(4H)-one(R)-6,10-dihydroxy-8-(1-(4-methoxyphenyl)-2-methylpropan-2-yl)-7,8,9,10-tetrahydro-2H-[1,4]oxazino[2,3-f]isoquinolin-3(4H)-one2H-Pyrido[3,4-h]-1,4-benzoxazin-3(4H)-one, 7,8,9,10-tetrahydro-6,10-dihydroxy-8-[2-(4-methoxyphenyl)-1,1-dimethylethyl]-, (10R)-3013645-18-37,8,9,10-Tetrahydro-6,10-dihydroxy-8-[2-(4-methoxyphenyl)-1,1-dimethylethyl]-2H-Pyrido[3,4-h]-1,4-benzoxazin-3(4H)-one, (10R)-Olodaterol EP Impurity G
Database identifiers
- CAS
3013645-18-3- PubChem CID
- 175665447
- UNII
- FAL6N58FQL
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 91.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 592
Physicochemical properties
- Boiling point
- 593.929 · 593.929±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.31 · 1.310±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Chemistry & industry
Suppliers2 total
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 18012923235 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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