Astemizole

CAS Registry Number®

68844-77-9

CAS Name

Astemizole

Molecular Formula

C28H31FN4O

Molecular Mass

458.57

Cite this Page

Astemizole.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=68844-77-9 (retrieved 2024-11-21) (CAS RN: 68844-77-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    149.1 °C

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C28H31FN4O/c1-34-25-12-8-21(9-13-25)14-17-32-18-15-24(16-19-32)30-28-31-26-4-2-3-5-27(26)33(28)20-22-6-10-23(29)11-7-22/h2-13,24H,14-20H2,1H3,(H,30,31)

InChIKey

InChIKey=GXDALQBWZGODGZ-UHFFFAOYSA-N

SMILES

C(N1C=2C(N=C1NC3CCN(CCC4=CC=C(OC)C=C4)CC3)=CC=CC2)C5=CC=C(F)C=C5

Canonical SMILES

FC1=CC=C(C=C1)CN2C(=NC=3C=CC=CC32)NC4CCN(CCC5=CC=C(OC)C=C5)CC4

Other Names for this Substance

  • 1H-Benzimidazol-2-amine, 1-[(4-fluorophenyl)methyl]-N-[1-[2-(4-methoxyphenyl)ethyl]-4-piperidinyl]-
  • 1-[(4-Fluorophenyl)methyl]-N-[1-[2-(4-methoxyphenyl)ethyl]-4-piperidinyl]-1H-benzimidazol-2-amine
  • Astemizole
  • Hismanal
  • Novo-Nastizol A

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