1.0 2016-05-22 05:11:02 UTC 2026-08-22 06:36:03 UTC Terconazole SmallMolecule Terconazole is an organic compound with the chemical formula C26H31Cl2N5O3. Terconazole belongs to the piperazines, a subclass of diazinanes within the organic compounds. With an average molecular weight of 532.46 g/mol, Terconazole is a heavy molecule. In terms of biological activity, it acts as an antagonist of the protein target Lanosterol 14-alpha demethylase (ERG11). The compound is associated with six recorded sources. Within healthcare, pharmaceuticals, and veterinary products, it is used in gynecologicals, and the recorded exposure route is vaginal. Other recorded sources include antennas in electrical and electronic equipment, as well as household cleaning and consumer products such as other smoking requisites and non electric simulated smoking devices. Additionally, it is linked to food, food processing, and cookware, specifically in the preparation of wine or sparkling wine and the preparation of malt. C26H31Cl2N5O3 532.462 531.180395297 1-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-(propan-2-yl)piperazine terconazole 67915-31-5 CC(C)N1CCN(CC1)C1=CC=C(OC[C@H]2CO[C@@](CN3C=NC=N3)(O2)C2=C(Cl)C=C(Cl)C=C2)C=C1 InChI=1S/C26H31Cl2N5O3/c1-19(2)31-9-11-32(12-10-31)21-4-6-22(7-5-21)34-14-23-15-35-26(36-23,16-33-18-29-17-30-33)24-8-3-20(27)13-25(24)28/h3-8,13,17-19,23H,9-12,14-16H2,1-2H3/t23-,26-/m0/s1 BLSQLHNBWJLIBQ-OZXSUGGESA-N Organic compounds Organoheterocyclic compounds Diazinanes Piperazines Phenylpiperazines 1,3-dioxolanes Alkyl aryl ethers Aminophenyl ethers Aniline and substituted anilines Aryl chlorides Azacyclic compounds Dialkylarylamines Dichlorobenzenes Heteroaromatic compounds Hydrocarbon derivatives Ketals N-alkylpiperazines N-arylpiperazines Organochlorides Organopnictogen compounds Oxacyclic compounds Phenoxy compounds Trialkylamines Triazoles 1,2,4-triazole 1,3-dichlorobenzene Acetal Alkyl aryl ether Amine Aminophenyl ether Aniline or substituted anilines Aromatic heteromonocyclic compound Aryl chloride Aryl halide Azacycle Azole Benzenoid Chlorobenzene Dialkylarylamine Ether Halobenzene Heteroaromatic compound Hydrocarbon derivative Ketal Meta-dioxolane Monocyclic benzene moiety N-alkylpiperazine N-arylpiperazine Organic nitrogen compound Organic oxygen compound Organochloride Organohalogen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Phenol ether Phenoxy compound Phenylpiperazine Tertiary aliphatic amine Tertiary aliphatic/aromatic amine Tertiary amine Aromatic heteromonocyclic compounds 1-(4-\{[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy\}phenyl)-4-isopropylpiperazine Detected and Not Quantified Terconazole Action Pathway SMP0125439 Terconazole Drug Metabolism Action Pathway SMP0142712 logp 5.37 logp 4.58 ALOGPS logs -4.66 ALOGPS solubility 1.16e-02 g/l ALOGPS logp 5.37 ChemAxon pka_strongest_basic 8.41 ChemAxon iupac 1-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-(propan-2-yl)piperazine ChemAxon average_mass 532.462 ChemAxon mono_mass 531.180395297 ChemAxon smiles CC(C)N1CCN(CC1)C1=CC=C(OC[C@H]2CO[C@@](CN3C=NC=N3)(O2)C2=C(Cl)C=C(Cl)C=C2)C=C1 ChemAxon formula C26H31Cl2N5O3 ChemAxon inchi InChI=1S/C26H31Cl2N5O3/c1-19(2)31-9-11-32(12-10-31)21-4-6-22(7-5-21)34-14-23-15-35-26(36-23,16-33-18-29-17-30-33)24-8-3-20(27)13-25(24)28/h3-8,13,17-19,23H,9-12,14-16H2,1-2H3/t23-,26-/m0/s1 ChemAxon inchikey BLSQLHNBWJLIBQ-OZXSUGGESA-N ChemAxon polar_surface_area 64.88 ChemAxon refractivity 153.19 ChemAxon polarizability 56.15 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 7 ChemAxon donor_count 0 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f72229d7628> DB00251 441383 390122 BE0000233