Basic information
- CAS
93181-81-8- Standard SMILES
OC1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1- InChIKey
USEZRIFSJXAMJD-UHFFFAOYSA-N- Molecular formula
- C15H16ClN3O
- Average molar mass
- 289.76 g/mol
- Monoisotopic mass
- 289.0981898
Overview
Lodaxaprine is a small molecule drug. Lodaxaprine has a monoisotopic molecular weight of 289.1 Da.
Names & identifiers
- Preferred name
- CM 40907
- IUPAC
- 1-[6-(2-chlorophenyl)pyridazin-3-yl]piperidin-4-ol
- English name
- Lodaxaprine
- Molecular formula
- C15H16ClN3O
- Molecular weight
- 289.76
Names & synonyms
CM-40907CM 409074-Piperidinol, 1-(6-(2-chlorophenyl)-3-pyridazinyl)-RefChem:153930LodaxaprineLodaxaprine [INN]Lodaxaprina93181-81-81-[6-(2-chlorophenyl)pyridazin-3-yl]piperidin-4-olD59ZQ3VVMV1-(6-(o-Chlorophenyl)-3-pyridazinyl)-4-piperidinol1-(6-(2-Chlorophenyl)-3-pyridazinyl)-4-piperidinol
Show more names
4-Piperidinol, 1-[6-(2-chlorophenyl)-3-pyridazinyl]-
1-[6-(2-chlorophenyl)-3-pyridazinyl]-4-piperidinolLodaxaprium [Latin]Lodaxaprina [Spanish]LodaxapriumUNII-D59ZQ3VVMVDTXSID50239308USEZRIFSJXAMJD-UHFFFAOYSA-N3-(4-Hydroxypiperidino)-6-(4-chlorophenyl)pyridazine
Database identifiers
- CAS
93181-81-8- PubChem CID
- 65835
- DTXSID
DTXSID50239308- ChEMBL
CHEMBL122135- UNII
- D59ZQ3VVMV
- Nikkaji
- J22.176G
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 309
Physicochemical properties
- Melting point
- 154 · 154-155 °C(Solv: ethanol (64-17-5))
- Boiling point
- 525.5 · 525.5±50.0 °C(Predicted)
- Density
- 1.303 · 1.303±0.06 g/cm3(Predicted)
- pka
- 14.56 · 14.56±0.20(Predicted)
- FDA UNII
- 59 ZQ3VVMV · D59ZQ3VVMV
Chemistry & industry
Suppliers1 total
Lanospharma Laboratories Co.,Ltd13440048448 · [email protected]
Related reactions
1 records
Compound notes
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