Apadoline
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Basic information
- CAS
135003-30-4- Standard SMILES
CCCNC(=O)c1ccc2c(c1)N([C@H](C)CN1CCCC1)c1ccccc1S2- InChIKey
KXMAIWXPZGQNCR-QGZVFWFLSA-N- Molecular formula
- C23H29N3OS
- Average molar mass
- 395.6 g/mol
- Monoisotopic mass
- 395.20313373
Overview
Apadoline is a small molecule drug. The usage of the INN stem '-adol/-adol-' in the name indicates that Apadoline is a analgesic. Apadoline has a monoisotopic molecular weight of 395.2 Da.
Names & identifiers
- Preferred name
- Apadoline
- IUPAC
- N-propyl-10-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]phenothiazine-2-carboxamide
- English name
- N-propyl-10-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]phenothiazine-2-carboxamide
- Molecular formula
- C23H29N3OS
- Molecular weight
- 395.56
Names & synonyms
Apadoline135003-30-45Q36UVB8YARP 60180RP-60180RefChem:113285Apadoline [INN]N-propyl-10-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]phenothiazine-2-carboxamide(+)-10-((1R)-Methyl-2-(1-pyrrolidinyl)ethyl)-N-propylphenothiazine-2-carboxamideUNII-5Q36UVB8YAApadolinaSCHEMBL635109
Show more names
10H-Phenothiazine-2-carboxamide, 10-[(1R)-1-methyl-2-(1-pyrrolidinyl)ethyl]-N-propyl-
CHEMBL442174SCHEMBL31300302DTXSID101350883( )-10-((1R)-Methyl-2-(1-pyrolidinyl)-N-propylphenothiazine-2-carboxamide10H-Phenothiazine-2-carboxamide,10-[(1R)-1-methyl-2-(1-pyrrolidinyl)ethyl]-N-propyl-NS00123027Q27262722(+)-10-((1R)-Methyl-2-(1-pyrolidinyl)-N-propylphenothiazine-2-carboxamide
Database identifiers
- CAS
135003-30-4- PubChem CID
- 179334
- DTXSID
DTXSID101350883- ChEMBL
CHEMBL442174- UNII
- 5Q36UVB8YA
Properties
Computed structural propertiesFilling in
- XLogP
- 4.9
- Topological polar surface area
- 60.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 524
Physicochemical properties
- Boiling point
- 559.9 · 559.9±50.0 °C(Predicted)
- Density
- 1.17 · 1.170±0.06 g/cm3(Predicted)
- pka
- 14.85 · 14.85±0.20(Predicted)
- FDA UNII
- 5 Q36UVB8YA · 5Q36UVB8YA
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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