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Substance Name: Embeconazole [INN]
RN: 329744-44-7
UNII: 02B953TLAI
InChIKey: XSRKBFUVSRRJDX-GGZJQHSXSA-N

Molecular Formula

  • C27-H25-F3-N4-O3-S

Molecular Weight

  • 542.5795
 
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Names and Synonyms

Name of Substance

  • Embeconazole [INN]

Synonyms

  • 4-((1E,3E)-4-(trans-5-(((2R,3R)-3-(2,4-Difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl)sulfanyl)-1,3-dioxan-2-yl)buta-1,3-dien-1-yl)-3-fluorobenzonitrile
  • Embeconazole
  • UNII-02B953TLAI

Registry Numbers

CAS Registry Number

  • 329744-44-7

FDA UNII

  • 02B953TLAI

System Generated Number

  • 0329744447

Structure Descriptors

InChI

1S/C27H25F3N4O3S/c1-18(27(35,15-34-17-32-16-33-34)23-9-8-21(28)11-25(23)30)38-22-13-36-26(37-14-22)5-3-2-4-20-7-6-19(12-31)10-24(20)29/h2-11,16-18,22,26,35H,13-15H2,1H3/b4-2+,5-3+/t18-,22-,26-,27-/m1/s1

InChIKey

XSRKBFUVSRRJDX-GGZJQHSXSA-N

Smiles

C[C@@H](S[C@@H]1CO[C@H](OC1)\C=C\C=C\c2ccc(cc2F)C#N)[C@](O)(Cn3cncn3)c4ccc(F)cc4F