Metconazole

CAS Registry Number®

125116-23-6

CAS Name

Metconazole

Molecular Formula

C17H22ClN3O

Molecular Mass

319.83

Cite this Page

Metconazole.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=125116-23-6 (retrieved 2024-11-21) (CAS RN: 125116-23-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    285 °C

  • Melting Point (1)

    111.5 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C17H22ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,11-12,14,22H,7-10H2,1-2H3

InChIKey

InChIKey=XWPZUHJBOLQNMN-UHFFFAOYSA-N

SMILES

C(C1(O)C(CC2=CC=C(Cl)C=C2)CCC1(C)C)N3C=NC=N3

Canonical SMILES

ClC1=CC=C(C=C1)CC2CCC(C)(C)C2(O)CN3N=CN=C3

Other Names for this Substance

  • Cyclopentanol, 5-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)-
  • 5-[(4-Chlorophenyl)methyl]-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol
  • Metconazole
  • Caramba
  • Quash

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration