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trimetazidine dihydrochloride

trimetazidine dihydrochloride

CAS: 13171-25-0

Formula: C14H24Cl2N2O3

SMILES: Cl[H].Cl[H].COC1=CC=C(CN2CCNCC2)C(OC)=C1OC

IUPAC: 1-[(2,3,4-trimethoxyphenyl)methyl]piperazine dihydrochloride

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

Composition: C (49.57%), H (7.13%), Cl (20.90%), N (8.26%), O (14.15%)

Molar Mass: 339.26

Atom Count: 45

Heavy Atom Count: 21

Properties
Properties
Common Names trimetazidine dihydrochloride
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 338.116398
Formal Charge 0
FSP3 0.57
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey VYFLPFGUVGMBEP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 74.75
Topological Polar Surface Area 42.96
Polarizability 29.41
Ring Count 2
Rotatable Bond Count 5

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