Product Name

  • Name

    Trimetazidine dihydrochloride

  • EINECS 236-117-0
  • CAS No. 13171-25-0
  • Article Data2
  • CAS DataBase
  • Density
  • Solubility
  • Melting Point 231-235 °C
  • Formula C14H24Cl2N2O3
  • Boiling Point 364 °C at 760 mmHg
  • Molecular Weight 339.262
  • Flash Point 174 °C
  • Transport Information
  • Appearance crystalline solid
  • Safety 26-36
  • Risk Codes 22-36/37/38
  • Molecular Structure Molecular Structure of 13171-25-0 (Trimetazidine dihydrochloride)
  • Hazard Symbols IrritantXi,HarmfulXn
  • 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;
  • PSA 42.96000
  • LogP 2.98830

Trimetazidine dihydrochloride 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) Effect 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.

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