rac 5-Hydroxymethyl Desisopropyl Tolterodine
Basic information
- CAS
480432-16-4- Standard SMILES
CC(C)NCCC(c1ccccc1)c1cc(CO)ccc1O- InChIKey
CCZYBOXFQXWQIF-UHFFFAOYSA-N- Molecular formula
- C19H25NO2
- Average molar mass
- 299.4 g/mol
- Monoisotopic mass
- 299.18852904
Names & identifiers
- Preferred name
- rac 5-Hydroxymethyl Desisopropyl Tolterodine
- IUPAC
- 4-(hydroxymethyl)-2-[1-phenyl-3-(propan-2-ylamino)propyl]phenol
- English name
- rac 5-Hydroxymethyl Desisopropyl Tolterodine
- Molecular formula
- C19H25NO2
- Molecular weight
- 299.41
Names & synonyms
480432-16-4rac 5-Hydroxymethyl Desisopropyl TolterodineSCHEMBL580169Fesoterodine Related Impurity 11DTXSID7011584514-(hydroxymethyl)-2-(3-(isopropylamino)-1-phenylpropyl)phenol4-(hydroxymethyl)-2-{1-phenyl-3-[(propan-2-yl)amino]propyl}phenol4-(hydroxymethyl)-2-[3-(isopropylamino)-1-phenyl-propyl]phenol4-Hydroxy-3-[3-[(1-methylethyl)amino]-1-phenylpropyl]benzenemethanolBenzenemethanol, 4-hydroxy-3-[3-[(1-methylethyl)amino]-1-phenylpropyl]-Acetylcholine Chloride Impurity 4-d9
Database identifiers
- CAS
480432-16-4- PubChem CID
- 9879355
- DTXSID
DTXSID701158451- Nikkaji
- J1.807.393E
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 52.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 302
Physicochemical properties
- Boiling point
- 482.4 · 482.4±45.0 °C(Predicted)
- Density
- 1.094 · 1.094±0.06 g/cm3(Predicted)
- pka
- 9.61 · 9.61±0.48(Predicted)
Chemistry & industry
Applications
Usesrac 5-Hydroxymethyl Desisopropyl Tolterodine is a useful building block in the synthesis of various pharmaceuticals.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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