Almitrine
Basic information
- CAS
27469-53-0- Standard SMILES
C=CCNc1nc(NCC=C)nc(N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)n1- InChIKey
OBDOVFRMEYHSQB-UHFFFAOYSA-N- Molecular formula
- C26H29F2N7
- Average molar mass
- 477.6 g/mol
- Monoisotopic mass
- 477.24525028
Overview
Almitrine is a triamino-1,3,5-triazine compound having allylamino substituents at the 2- and 4-positions and a 4-(bis(p-fluorophenyl)methyl)-1-piperazinyl group at the 6-position. It has a role as a central nervous system stimulant. It is a member of piperazines and a triamino-1,3,5-triazine.
Names & identifiers
- Preferred name
- Almitrine
- IUPAC
- 6-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
- English name
- ALMITRINE
- Molecular formula
- C26H29F2N7
- Molecular weight
- 477.55
Names & synonyms
ALMITRINE27469-53-0AlmitrinAlmitrinaAlmitrinumSE 50232,4-Bis(allylamino)-6-(4-(bis(p-fluorophenyl)methyl)-1-piperazinyl)-s-triazine9A1222NBG4DTXSID4057899CHEBI:537781,3,5-Triazine-2,4-diamine, 6-(4-(bis(4-fluorophenyl)methyl)-1-piperazinyl)-N,N'-di-2-propenyl-Almitrine Bis(methanesulfonate)
Show more names
AlMitrine MesylateS-2620ALMITRINE USP/EP/BPAlmitrine dimethanesulfonic acid2,4-Bis(allylamino)-6-[4-[bis(p-fluorophenyl)methyl]-1-piperazinyl]-s-triazine1-[2,4-Bis(allylamino)-1,3,5-triazin-6-yl]-4-[bis(4-fluorophenyl)methyl]piperazine6-[4-[Bis(4-fluorophenyl)methyl]-1-piperazinyl]-N,N'-di(2-propenyl)-1,3,5-triazine-2,4-diamine1,3,5-Triazine-2,4-diamine, 6-[4-[bis(4-fluorophenyl)methyl]-1-piperazinyl]-N2,N4-di-2-propen-1-yl-
6-(4-(bis(4-fluorophenyl)methyl)piperazin-1-yl)-2-N,4-N-bis(prop-2-en-1-yl)-1,3,5-triazine-2,4-diamine6-{4-[bis(4-fluorophenyl)methyl]piperazin-1-yl}-2-N,4-N-bis(prop-2-en-1-yl)-1,3,5-triazine-2,4-diamineMonomesylate, AlmitrineRefChem:110940DTXCID5031682R07AB07248-475-5SE-5023
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 69.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 602
Experimental & physicochemical properties
Drugs
Pharmaceuticals -> Respiratory system -> Nasal preparations
Pharmaceuticals -> Listed in ZINC15
Solubility1.44e-02 g/L
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 181 ° · 181°
- Density
- 1.2278 · 1.2278 (estimate)
- form
- Solid
- FDA UNII
- 9 A1222NBG4 · 9A1222NBG4
- ATC code
- 7 AB07 · R07AB07
- Toxicity
- 50 ipr-mus: · LD50 ipr-mus: 390 mg/kg DRFUD4 3,717,78
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- Toxicity
- LD50 ipr-mus: 390 mg/kg DRFUD4 3,717,78
Chemistry & industry
Pharmacology
ATC Code
R - Respiratory system
QR - Respiratory system
PharmacodynamicsAlmitrine is a respiratory stimulant that enhances respiration by acting as an agonist of peripheral chemoreceptors located on the carotid bodies.
Mechanism of Action
Almitrine is an agonist at the peripheral chemoreceptors expressed on carotid bodies. It enhances respiration in patients with chronic obstructive pulmonary disease by increasing the arterial oxygen tension while decreasing the arterial carbon dioxide tension.
MeSH Pharmacological Classification
Drugs intended to prevent damage to the brain or spinal cord from ischemia, stroke, convulsions, or trauma. Some must be administered before the event, but others may be effective for some time after. They act by a variety of mechanisms, but often directly or indirectly minimize the damage produced by endogenous excitatory amino acids.
Drugs used for their effects on the respiratory system.
Cellular LocationsMembrane
Applications
UsesRespiratory stimulant.
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: A triamino-1,3,5-triazine compound having allylamino substituents at the 2- and 4-positions and a 4-(bis(p-fluorophenyl)methyl)-1-piperazinyl group at the 6-position.
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Compound notes
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