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Almitrine dimesylate

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Name

Almitrine dimesylate

EINECS 249-726-1
CAS No. 29608-49-9 Density N/A
PSA 194.71000 LogP 5.57570
Solubility N/A Melting Point 243° (dec)
Formula C26H29F2N7.2(CH4O3S) Boiling Point 606.2 °C at 760 mmHg
Molecular Weight 669.76 Flash Point 320.4 °C
Transport Information N/A Appearance COA
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 29608-49-9 (Almitrine dimesylate) Hazard Symbols N/A
Synonyms

6-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-N,N-diprop-2-enyl-1,3,5-triazine-2,4-diamine; methanesulfonic acid;Almitrine bismethane sulfonate;Almitrinum [INN-Latin];Vectarion;N,N-Diallyl-6-(4-(bis(4-fluorophenyl)methyl)piperazin-1-yl)-1,3,5-triazine-2,4-diamine dimethanesulphonate;Almitrine bismesylate;2,4-Bis(allylamino)-6-(4-(bis(p-fluorophenyl)methyl)-1-piperazinyl)-s-triazine;S 2620 bismethanesulfonate;Almitrin;Almitrina [INN-Spanish];1,3,5-Triazine-2,4-diamine,6-[4-[bis(4-fluorophenyl) methyl]-1-piperazinyl]-N,N'-di-2- propenyl-,dimethanesulfonate;6-(4-(Bis(4-fluorphenyl)methyl)-1-piperazinyl)-N,N-di-2-propenyl-1,3,5-triazin-2,4-diamin;N,N'-diallyl-6-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-1,3,5-triazine-2,4-diamine dimethanesulphonate;

 

Almitrine dimesylate Specification

The Almitrine dimesylate with its cas register number is 29608-49-9. It also can be called as 2,4-Bis(allylamino)-6-[4-[bis(p-fluorophenyl)methyl]-1-piperazinyl]-s-triazine dimethanesulfonate and the IUPAC Name about this chemical is 6-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine; methanesulfonic acid.

Physical properties about Almitrine dimesylate are: (1)ACD/LogP: 2.84; (2)#H bond acceptors: 7; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 8; (5)Polar Surface Area: 51.63Å2; (6)Enthalpy of Vaporization: 90.11 kJ/mol; (7)Vapour Pressure: 1.21E-14 mmHg at 25°C

The Almitrine dimesylate is a respiratory stimulant that enhances respiration by acting as an agonist of peripheral chemoreceptors located on the carotid bodies. The drug increases arterial oxygen tension while decreasing arterial carbon dioxide tension in patients with chronic obstructive pulmonary disease. It may also prove useful in the treatment of nocturnal oxygen desaturation without impairing the quality of sleep. 

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CS(=O)(=O)O.CS(=O)(=O)O.C=CCNC1=NC(=NC(=N1)N2CCN(CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)NCC=C
(2)InChI: InChI=1S/C26H29F2N7.2CH4O3S/c1-3-13-29-24-31-25(30-14-4-2)33-26(32-24)35-17-15-34(16-18-35)23(19-5-9-21(27)10-6-19)20-7-11-22(28)12-8-20;2*1-5(2,3)4/h3-12,23H,1-2,13-18H2,(H2,29,30,31,32,33);2*1H3,(H,2,3,4)
(3)InChIKey: MRDBGMJEPGXQHJ-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 370mg/kg (370mg/kg)   Journal de Pharmacologie. Vol. 3, Pg. 363, 1972.
mouse LD50 intravenous 207mg/kg (207mg/kg)   Journal de Pharmacologie. Vol. 3, Pg. 363, 1972.
mouse LD50 oral > 2gm/kg (2000mg/kg)   Experientia. Vol. 28, Pg. 814, 1972.

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