UCSF

ZINC19358638

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 19 Yes

Popular Name: Trimetazidine dihydrochloride Trimetazidine dihydrochloride

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CAS Numbers: 13171-25-0 , 5011-34-7 , 738-70-5 , [13171-25-0]

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.87 2.82 -43.8 2 5 1 48 267.349 5 ↓
Hi High (pH 8-9.5) 0.87 1.46 -7.3 1 5 0 43 266.341 5 ↓

Vendor Notes

Note Type Comments Provided By
MP 225-228° Matrix Scientific
Melting_Point 231-235? Alfa-Aesar
Melting_Point 231-235° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity 97% Fluorochem
Purity 99% APIChem
Indications angina KeyOrganics Bioactives
Therapy anti-anginal SMDC Pharmakon
biological_use Antiischaemic agent used for the treatment of angina IBScreen Bioactives IBScreen Bioactives
Indications antiischemic KeyOrganics Bioactives
mechanism Inhibitor of ZereneX Building Blocks
mechanism Inhibitor of b oxidation of fatty acid in blood vessles IBScreen Bioactives
Warnings IRRITANT Matrix Scientific
biological_use Potential agent for treatment of cyclosporin A-induced nephrotoxicity IBScreen Bioactives

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Analogs ( Draw Identity 99% 90% 80% 70% )