chempirical

Terconazole

C26H31Cl2N5O3CAS 67915-31-5532.47 g/mol

Open in Covalent MOL file
NNOONNNClClO
AcetalAryl halideEtherTertiary amine

Properties

Molecular formula
C26H31Cl2N5O3
Molar mass
532.47 g/mol
Exact mass
531.1804 Da
Melting point
126.3 °C
logP
4.46Crippen estimate
Polar surface area
64.9 Ų
H-bond donors / acceptors
0 / 7
Rotatable bonds
8
Stereocentres
S, Rin SMILES atom order

Identifiers

CAS number
67915-31-5
SMILES
CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1
InChIKey
BLSQLHNBWJLIBQ-MKNUCDGGNA-N
InChI
InChI=1/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-/s2

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Type any one amount. The others follow from the molar mass.

Names and synonyms

13 names · show all
  • Piperazine, 1-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-4-(1-methylethyl)-, rel-
  • Piperazine, 1-[4-[[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-4-(1-methylethyl)-, cis-
  • Rel-1-[4-[[(2R,4S)-2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-4-(1-methylethyl)piperazine
  • Triaconazole
  • Gyno-terazol
  • Terazol
  • Terazol cream & suppositories
  • R 42470
  • Fungistat
  • Tercospor
  • NSC 331942
  • (±)-Terconazole
  • Termayazole

Work with Terconazole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Itraconazole84625-61-669 % similar Propiconazole60207-90-163 % similar 1,3-Dioxolane-4-methanol, 2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-, 4-methanesulfonate, (2R,4R)-rel-67914-86-760 % similar Ketoconazole65277-42-158 % similar Difenoconazole119446-68-356 % similar Elubiol67914-69-656 % similar Azaconazole60207-31-051 % similar Hexaconazole79983-71-441 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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