Ebastine | CAS No. 90729-43-4

Ebastine

Basic Information

CAS Number

90729-43-4

Molecular Formula

C32H39NO2

Molecular Weight

469.67 g/mol

AD

Basic Physical Properties

Physical State

No data available

Melting Point

85.0 to 89.0 deg-C

Boiling Point

596.3°C at 760 mmHg

Density

1.09

Flash Point

314.5±30.1 °C

Solubility

Slightly soluble in chloroform, methanol.

Refractive Index

1.59

CC(C)(C)C1=CC=C(C=C1)C(=O)CCCN2CCC(CC2)OC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C32H39NO2/c1-32(2,3)28-18-16-25(17-19-28)30(34)15-10-22-33-23-20-29(21-24-33)35-31(26-11-6-4-7-12-26)27-13-8-5-9-14-27/h4-9,11-14,16-19,29,31H,10,15,20-24H2,1-3H3

InChIKey

MJJALKDDGIKVBE-UHFFFAOYSA-N

LogP

7.217600000000008

Topological Polar Surface Area

29.540000000000003 Ų

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

594

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H413 May cause long lasting harmful effects to aquatic life
Hazardous to the aquatic environment, long-term hazard

Synonyms & References

English

  • Ebastine
  • 4-Tert-Butyl-4-[4-(Diphenylmethoxy) Piperidino] Butyrophenone
  • 4-(4-benzhydryloxypiperidin-1-yl)-1-(4-tert-butylphenyl)butan-1-one
  • EVASTEL
  • [14C]-Ebastine
  • 4-diphenylmethoxy-1-[3-(4-tert-butylbenzoyl)propyl]-piperidine
  • carebastine
  • Ebastel
  • Ebastin
  • Ebastina [Spanish]
  • Ebastinum [Latin]
  • Estivan
  • Kestine
  • LAS W-090
  • LAS-W 090
  • RP64305
  • 1-[4-(1,1-Dimethylethyl)phenyl]-4-[4-(diphenylmethoxy)-1-piperidinyl]-1-butanone
  • 4-(4-Benzhydryloxy-1-piperidyl)-1-(4-tert-butylphenyl)butan-1-one
  • Kestin
  • Bactil
  • RP 64305
  • 1-(4-tert-butylphenyl)-4-[4-(diphenylmethoxy)piperidin-1-yl]butan-1-one
  • TQD7Q784P1
  • C32H39NO2
  • 4-Diphenylmethoxy-1-(3-(4-tert-butylbenzoyl)propyl)piperidine
  • 4'-tert-Butyl-4-(4-
  • 4'-(1,1-Dimethylethyl)-γ-[4-(diphenylmethoxy)piperidin-1-yl]butyrophenone
  • 4'-tert-Butyl-γ-[4-(diphenylmethoxy)piperidino]butyrophenone
  • Ebastel-OD
  • LAS-90
  • IMp. A (EP): DiphenylMethanol (Benzhydrol)

MDL Number

MFCD00865661

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