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CAS 29608-49-9 chemical formula,CAS 29608-49-9 MSDS,CAS 29608-49-9 chemical properties

CAS Number 29608-49-9
chem name Almitrine dimesylate
formula C26H29F2N7.2(CH4O3S)
structure
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;
properties

CAS Number 29608-49-9 properties (MSDS)

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.