Astemizole | CAS No. 68844-77-9

Astemizole

Basic Information

CAS Number

68844-77-9

Molecular Formula

C28H31FN4O

Molecular Weight

458.58 g/mol

AD

Basic Physical Properties

Melting Point

172.9°C

Density

1.1587 (estimate)

Water Solubility

It is soluble in DMSO (25 mg/ml ), ethanol (25 mg/ml), chloroform, methanol, and water (partly miscible).

Solubility

DMSO: >20mg/mL

COC1=CC=C(C=C1)CCN2CCC(CC2)NC3=NC4=CC=CC=C4N3CC5=CC=C(C=C5)F

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

GXDALQBWZGODGZ-UHFFFAOYSA-N

LogP

5.351300000000005

Topological Polar Surface Area

42.32 Ų

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

599

Safety Information

View Safety Information

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • 68844-77-9
  • HMS2095K14
  • ASTEMIZOLE [WHO-DD]
  • HMS3712K14
  • NCGC00016913-01
  • NCGC00018288-01
  • SPBio_001804
  • Astemizole, United States Pharmacopeia (USP) Reference Standard
  • Astemizole (JAN/USP/INN)
  • Prestwick0_000136
  • NCGC00016913-09
  • SPECTRUM2300094
  • NCGC00022520-04
  • KBio2_000928
  • Astemison
  • 7HU6337315
  • HMS3373B08
  • NCGC00016913-06
  • GTPL2603
  • QTL1_000010
  • NSC329963
  • Tox21_110680
  • 1-(4-Fluorobenzyl)-2-(1-[4-methoxyphenethyl]piperidin-4-yl)aminobenzimidazole
  • 1-[(4-fluorophenyl)methyl]-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]benzimidazol-2-amine
  • NCGC00016913-10
  • GNF-PF-2461
  • Q423437
  • L001015
  • Astemizole, >=98% (HPLC)
  • ASTEMIZOLE [USAN]
  • CAS-68844-77-9

MDL Number

MFCD00153919

Customs Code

2933990090

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