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Trimetazidine (hydrochloride)

CAT: 0607-C6414-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-C6414-50Size:50 mg
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CAS Number
13171-25-0
Product Name Alternative
1-(2,3,4-trimethoxybenzyl)piperazine dihydrochloride
Purity
0.98
Solubility
Soluble in DMSO
Smiles
COC1=C(C=CC(CN2CCN([H])CC2)=C1OC)OC.Cl.Cl
Molecular Formula
C14H24Cl2N2O3
Molecular Weight
339.26
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Trimetazidine Dihydrochloride

Trimetazidine hydrochloride is an aromatic amine.

CAS Number13171-25-0
PubChem CID83201
IUPAC Name1-[(2,3,4-trimethoxyphenyl)methyl]piperazine;dihydrochloride
Molecular FormulaC14H24Cl2N2O3
Molecular Weight339.3
Topological Polar Surface Area43
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count21
Formal Charge0
Complexity259
SMILES
COC1=C(C(=C(C=C1)CN2CCNCC2)OC)OC.Cl.Cl
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
InChIKey
VYFLPFGUVGMBEP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Trimetazidine Dihydrochloride
CAS: 13171-25-0
CID: 83201
Formula: C14H24Cl2N2O3
MW: 339.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight339.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass338.1163980
Monoisotopic Mass338.1163980
Topological Polar Surface Area43 Ų
Heavy Atom Count21
Formal Charge0
Complexity259
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes