Isavuconazole Impurity 23
Basic information
- CAS
2732924-98-8- Standard SMILES
CNCC(=O)OCc1cccnc1NC- InChIKey
KLJQIRLTSXXJQC-UHFFFAOYSA-N- Molecular formula
- C10H15N3O2
- Average molar mass
- 209.24 g/mol
- Monoisotopic mass
- 209.11642673
Names & identifiers
- Preferred name
- Isavuconazole Impurity 23
- IUPAC
- [2-(methylamino)-3-pyridinyl]methyl 2-(methylamino)acetate
- English name
- Glycine, N-methyl-, [2-(methylamino)-3-pyridinyl]methyl ester
- Molecular formula
- C10H15N3O2
- Molecular weight
- 209.24
Names & synonyms
2732924-98-8Isavuconazole Impurity 23(2-(Methylamino)pyridin-3-yl)methyl methylglycinateK4NUE8NFF8Isavuconazole Impurity N12G87661(2-(methylamino)pyridin-3-yl)methyl 2-(methylamino)acetateN-Methylglycine [2-(methylamino)-3-pyridinyl]methyl esterGlycine, N-methyl-, [2-(methylamino)-3-pyridinyl]methyl ester(2-(Methylamino)pyridin-3-yl)methyl 2-(methylamino)acetate Isavuconazole ImpurityBAL20019Ashaconazole lmpurity 90
Show more names
Isavuconazole Impurity 90Isavuconazole Impurity 42 HClEshaconazole impurity 2 dihydrochlorideIsavuconazole Impurity 42 Trihydrochloride(2-(Methylamino)pyridin-3-yl)methyl 2-(methylamino)acetate (Isavuconazole Impurity)
Database identifiers
- CAS
2732924-98-8- PubChem CID
- 129011702
- UNII
- K4NUE8NFF8
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 199
Physicochemical properties
- Boiling point
- 353.3 · 353.3±42.0 °C(Predicted)
- Density
- 1.16 · 1.160±0.06 g/cm3(Predicted)
- pka
- 7.38 · 7.38±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…