CAS No.13171-25-0,Trimetazidine dihydrochloride Suppliers

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Basic Information

Molecular Structure:
CAS No.:	13171-25-0
Name:	Trimetazidine dihydrochloride
Article Data:	2

Formula:	C₁₄H₂₄Cl₂N₂O₃
Molecular Weight:	339.262
Synonyms:	Piperazine, 1-(2,3,4-trimethoxybenzyl)-, dihydrochloride;Kyurinett;Piperazine, 1-((2,3,4-trimethoxyphenyl)methyl)-, dihydrochloride (9CI);1-[(2,3,4-trimethoxyphenyl)methyl]-2,3,5,6-tetrahydropyrazine;1-[(2,3,4-trimethoxyphenyl)methyl]piperazine dihydrochloride;Trimetajust;Lubomail;Piperazine,1-[(2,3,4-trimethoxyphenyl)methyl]-,dihydrochloride;Prestwick_871;S 4004;
EINECS:	236-117-0
Melting Point:	231-235 °C
Boiling Point:	364 °C at 760 mmHg
Flash Point:	174 °C
Appearance:	crystalline solid
Hazard Symbols:	Xi,Xn
Risk Codes:	22-36/37/38
Safety:	26-36
PSA:	42.96000
LogP:	2.98830

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113594-65-3

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Specification

The IUPAC name of Yosimilon is 1-[(2,3,4-trimethoxyphenyl)methyl]piperazine dihydrochloride. With the CAS registry number 13171-25-0, it is also named as Trimetazidine dihydrochloride. The product's categories are Intermediates & Fine Chemicals; Pharmaceuticals. Besides, it is crystalline solid, which should be stored in an airtight, cool, dry and ventilated place. It is a vasodilator used in angina of effort or ischemic heart disease. In addition, its molecular formula is C₁₄H₂₄Cl₂N₂O₃ and its molecular weight is339.258.

The other characteristics of Yosimilon can be summarized as: (1)EINECS: 236-117-0; (2)ACD/LogP: 0.80; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): -2.16; (5)ACD/LogD (pH 7.4): -0.82; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 1; (9)ACD/KOC (pH 7.4): 1.57; (10)#H bond acceptors: 5; (11)#H bond donors: 1; (12)#Freely Rotating Bonds: 5; (13)Polar Surface Area: 34.17 Å²; (14)Flash Point: 174 °C; (15)Melting Point: 231-235 °C; (16)Enthalpy of Vaporization: 61.02 kJ/mol; (17)Boiling Point: 364 °C at 760 mmHg; (18)Vapour Pressure: 1.73E-05 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. It is also harmful if swallowed. You should wear suitable protective clothing. Moreover, in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
(1)SMILES: Cl.Cl.O(c1ccc(c(OC)c1OC)CN2CCNCC2)C
(2)InChI: InChI=1/C14H22N2O3.2ClH/c1-17-12-5-4-11(13(18-2)14(12)19-3)10-16-8-6-15-7-9-16;;/h4-5,15H,6-10H2,1-3H3;2*1H
(3)InChIKey: VYFLPFGUVGMBEP-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C14H22N2O3.2ClH/c1-17-12-5-4-11(13(18-2)14(12)19-3)10-16-8-6-15-7-9-16;;/h4-5,15H,6-10H2,1-3H3;2*1H
(5)Std. InChIKey: VYFLPFGUVGMBEP-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
mouse	LD50	intraperitoneal	305mg/kg (305mg/kg)	United States Patent Document. Vol. #3262852,
mouse	LD50	intravenous	125mg/kg (125mg/kg)	United States Patent Document. Vol. #3262852,
mouse	LD50	oral	1550mg/kg (1550mg/kg)	Drugs in Japan Vol. 6, Pg. 527, 1982.
mouse	LD50	subcutaneous	410mg/kg (410mg/kg)	Drugs in Japan Vol. 6, Pg. 527, 1982.
rat	LD50	intraperitoneal	345mg/kg (345mg/kg)	Drugs in Japan Vol. 6, Pg. 527, 1982.
rat	LD50	oral	1700mg/kg (1700mg/kg)	Drugs in Japan Vol. 6, Pg. 527, 1982.
rat	LD50	subcutaneous	1500mg/kg (1500mg/kg)	Drugs in Japan Vol. 6, Pg. 527, 1982.