Molecular Identity
Secnidazole
1-(2-methyl-5-nitroimidazol-1-yl)propan-2-ol
PubChem CID: 71815
Secnidazole is a C-nitro compound that is 5-nitroimidazole in which the hydrogens at positions 1 and 2 are replaced by 2-hydroxypropyl and methyl groups, respectively. It is a drug used for the treatment of trichomoniasis caused by Trichomonas vaginalis. It has a role as an antibacterial agent, an antiprotozoal drug and an epitope. It is a member of imidazoles, a secondary alcohol and a C-nitro compound.
2D Structure
Properties
C7H11N3O3
Molecular Formula
185.18
Molecular Weight
g/mol
185.0800
Exact Mass
Da
0.2
XLogP
Drug-like (Lipinski: < 5)
83.9
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
4
H-Bond Acceptors
194
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Secnidazole3366-95-8SecnidazolFlagentyl1-(2-methyl-5-nitro-1H-imidazol-1-yl)propan-2-olSecnidazolumSolosecSecnidalSYM-1219RP 145391-(2-methyl-5-nitroimidazol-1-yl)propan-2-olSecnidazole anhydrousOrnidazole metabolite m4RP-14539PM-185184
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Secnidazole
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