Lesopitron dihydrochloride
Basic information
- CAS
132449-89-9- Standard SMILES
Cl.Cl.Clc1cnn(CCCCN2CCN(c3ncccn3)CC2)c1- InChIKey
RGDLQJUAYQRGBC-UHFFFAOYSA-N- Molecular formula
- C15H23Cl3N6
- Average molar mass
- 393.7 g/mol
- Monoisotopic mass
- 392.104978
Names & identifiers
- Preferred name
- Lesopitron dihydrochloride
- IUPAC
- 2-[4-[4-(4-chloropyrazol-1-yl)butyl]piperazin-1-yl]pyrimidine;dihydrochloride
- English name
- lesopitron
- Molecular formula
- C15H22Cl2N6
- Molecular weight
- 357.28
Names & synonyms
LESOPITRON DIHYDROCHLORIDE132449-89-94T5L4T8473UNII-4T5L4T8473DTXSID00157588E 4424E-44242-(4-(4-(4-Chloro-1H-pyrazol-1-yl)butyl)-1-piperazinyl)pyrimidine dihydrochloridePyrimidine, 2-(4-(4-(4-chloro-1H-pyrazol-1-yl)butyl)-1-piperazinyl)-, dihydrochlorideLESOPITRON DIHYDROCHLORIDE [MI]PYRIMIDINE, 2-(4-(4-(4-CHLORO-1H-PYRAZOL-1-YL)BUTYL)-1-PIPERAZINYL)-, HYDROCHLORIDE (1:2)RefChem:152885
Show more names
E4424Lesopitron (dihydrochloride) (E4424)
DTXCID1080079Lesopitron (dihydrochloride)Lesopitron 2HCl2-[4-[4-(4-chloropyrazol-1-yl)butyl]piperazin-1-yl]pyrimidine;dihydrochloride2-(4-(4-(4-chloro-1H-pyrazol-1-yl)butyl)piperazin-1-yl)pyrimidine dihydrochlorideHY-101609132449-89-9 (Lesopitron HCl)C15H23Cl3N6
Database identifiers
- CAS
132449-89-9- PubChem CID
- 60812
- DTXSID
DTXSID00157588- UNII
- 4T5L4T8473
Properties
Computed structural properties
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 317
Physicochemical properties
- Melting point
- 194 · 194-197.5°
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- form
- Solid
- color
- White to off-white
- FDA UNII
- 4 T5L4T8473 · 4T5L4T8473
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319
- Precautionary statements
- 501 · P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319
- Precautionary statements
- P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330
Chemistry & industry
Applications
UsesLesopitron dihydrochloride is a full and selective 5-HT1A receptor agonist with IC50 of 125 nM in rat hippocampal membranes.
Related reactions
1 records
Compound notes
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