Tomelukast

CAS Registry Number®

88107-10-2
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CAS Name

Tomelukast

Molecular Formula

C16H22N4O3

Molecular Mass

318.37

Cite this Page

Tomelukast.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=88107-10-2 (retrieved 2024-04-27) (CAS RN: 88107-10-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    113.5-115.0 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C16H22N4O3/c1-3-6-13-14(9-8-12(11(2)21)16(13)22)23-10-5-4-7-15-17-19-20-18-15/h8-9,22H,3-7,10H2,1-2H3,(H,17,18,19,20)

InChIKey

InChIKey=MWYHLEQJTQJHSS-UHFFFAOYSA-N

SMILES

O(CCCCC=1NN=NN1)C2=C(CCC)C(O)=C(C(C)=O)C=C2

Canonical SMILES

O=C(C1=CC=C(OCCCCC2=NN=NN2)C(=C1O)CCC)C

Other Names for this Substance

  • Ethanone, 1-[2-hydroxy-3-propyl-4-[4-(2H-tetrazol-5-yl)butoxy]phenyl]-
  • Ethanone, 1-[2-hydroxy-3-propyl-4-[4-(1H-tetrazol-5-yl)butoxy]phenyl]-
  • 1-[2-Hydroxy-3-propyl-4-[4-(2H-tetrazol-5-yl)butoxy]phenyl]ethanone
  • LY 171883
  • Tomelukast

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