Letrozole

CAS Registry Number®

112809-51-5

CAS Name

Letrozole

Molecular Formula

C17H11N5

Molecular Mass

285.30

Cite this Page

Letrozole.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=112809-51-5 (retrieved 2024-11-21) (CAS RN: 112809-51-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    181-183 °C

  • Density (2)

    0.8501 g/cm³ (solid) @ Temp: 45.05 °C; Press: 1.8 x 10⁵ Torr

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C17H11N5/c18-9-13-1-5-15(6-2-13)17(22-12-20-11-21-22)16-7-3-14(10-19)4-8-16/h1-8,11-12,17H

InChIKey

InChIKey=HPJKCIUCZWXJDR-UHFFFAOYSA-N

SMILES

C(C1=CC=C(C#N)C=C1)(C2=CC=C(C#N)C=C2)N3C=NC=N3

Canonical SMILES

N#CC1=CC=C(C=C1)C(C2=CC=C(C#N)C=C2)N3N=CN=C3

Other Names for this Substance

  • Benzonitrile, 4,4′-(1H-1,2,4-triazol-1-ylmethylene)bis-
  • 4,4′-(1H-1,2,4-Triazol-1-ylmethylene)bis[benzonitrile]
  • CGS 20267
  • Letrozole
  • 4,4′-(1H-1,2,4-Triazol-1-ylmethylene)dibenzonitrile

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Deleted or Replaced CAS Registry Numbers

2189711-70-2

CAS INSIGHTSTM
Targeted protein degrader structure, illustration