Temelastine

CAS Registry Number®

86181-42-2
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CAS Name

Temelastine

Molecular Formula

C21H24BrN5O

Molecular Mass

442.35

Cite this Page

Temelastine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=86181-42-2 (retrieved 2024-07-01) (CAS RN: 86181-42-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H24BrN5O/c1-14-9-18(22)13-25-19(14)5-3-4-8-23-21-26-12-17(20(28)27-21)10-16-7-6-15(2)24-11-16/h6-7,9,11-13H,3-5,8,10H2,1-2H3,(H2,23,26,27,28)

InChIKey

InChIKey=OGEAASSLWZDQBM-UHFFFAOYSA-N

SMILES

C(C=1C(=O)NC(NCCCCC2=C(C)C=C(Br)C=N2)=NC1)C=3C=CC(C)=NC3

Canonical SMILES

O=C1NC(=NC=C1CC2=CN=C(C=C2)C)NCCCCC3=NC=C(Br)C=C3C

Other Names for this Substance

  • 4(1H)-Pyrimidinone, 2-[[4-(5-bromo-3-methyl-2-pyridinyl)butyl]amino]-5-[(6-methyl-3-pyridinyl)methyl]-
  • 2-[[4-(5-Bromo-3-methyl-2-pyridinyl)butyl]amino]-5-[(6-methyl-3-pyridinyl)methyl]-4(1H)-pyrimidinone
  • SKF 93944
  • Temelastine