Terconazole

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Properties Simple | Detailed

Formula C26H31Cl2N5O3
IUPAC Name 1-[4-[[(2r,4s)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-4-isopropyl-piperazine
Molecular Mass 532.462 g·mol−1
Heat of Formation -132.1 ± 16.7 kJ·mol−1
Dipole Moment 2.16 ± 1.08 D
Volume 608.63 Å 3
Surface Area 504.24 Å 2
HOMO Energy -8.51 ± 0.55 eV
LUMO Energy -1.40 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[4-[[(2r,4s)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-4-isopropyl-piperazine
  • 1-[4-[[(2r,4s)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-4-isopropylpiperazine
  • 1-[4-[[(2r,4s)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-4-propan-2-yl-piperazine
  • 1-[4-[[(2r,4s)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-4-propan-2-ylpiperazine
  • bpbio1_000429
  • d00888
  • terconazole (usan/inn)
CAS Number(s)
  • 67915-31-5
InChIKey BLSQLHNBWJLIBQ-OZXSUGGESA-N
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Elements H C N O Cl