CAS No.29608-49-9,Almitrine dimesylate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	29608-49-9
Name:	Almitrine dimesylate

Formula:	C₂₆H₂₉F₂N₇^.2(CH₄O₃S)
Molecular Weight:	669.76
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;
EINECS:	249-726-1
Melting Point:	243° (dec)
Boiling Point:	606.2 °C at 760 mmHg
Flash Point:	320.4 °C
Appearance:	COA
PSA:	194.71000
LogP:	5.57570

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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)	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.