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CAS No 38363-40-5 , (2S)-1-(tert-butylamino)-3-(2-cyclopentylphenoxy)propan-2-ol

  • Name: (2S)-1-(tert-butylamino)-3-(2-cyclopentylphenoxy)propan-2-ol
  • Synonyms: Levatolol; Levopenbutol; Levatol; (-)-Penbutolol; Lobeta;Betapressin; l-Penbutolol;(2S)-1-(tert-butylamino)-3-(2-cyclopentylphenoxy)propan-2-ol; S(-)-Penbutolol; Paginol;
  • CAS Registry Number:
  • Flash Point: 218.8°C
  • Boiling Point: 438.2°Cat760mmHg
  • Density: 1.03g/cm3
  • Refractive index: 1.527
  • Safety Statements: Poison by ingestion and intravenous routes. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.
  • Flash Point: 218.8°C
  • EINECS: 253-074-3
  • Molecular Weight: 291.42836
  • InchiKey: KQXKVJAGOJTNJS-HNNXBMFYSA-N
  • InChI: InChI=1S/C18H29NO2/c1-18(2,
    3)19-12-15(20)13-21-17-11-7-6-10-16(17)14-8-4-5-9-14/h6-7,10-11,14-15,
    19-20H,4-5,8-9,12-13H2,1-3H3/t15-/m0/s1
  • Molecular Formula: C18H29NO2
  • Molecular Structure:CAS No:38363-40-5 (2S)-1-(tert-butylamino)-3-(2-cyclopentylphenoxy)propan-2-ol

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38363-40-5 PENBUTOLOL

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References of (2S)-1-(tert-butylamino)-3-(2-cyclopentylphenoxy)propan-2-ol
Title: Penbutolol
CAS Registry Number: 38363-40-5
CAS Name: (2S)-1-(2-Cyclopentylphenoxy)-3-[(1,1-dimethylethyl)amino]-2-propanol
Synonyms: (S)-1-(tert-butylamino)-3-(o-cyclopentylphenoxy)-2-propanol; (-)-1-tert-butylamino-2-hydroxy-3-(2￠-cyclopentylphenoxy)propane
Molecular Formula: C18H29NO2
Molecular Weight: 291.43
Percent Composition: C 74.18%, H 10.03%, N 4.81%, O 10.98%
Literature References: b-Adrenergic blocker. Prepn: H. Ruschig et al., ZA 6807915; eidem, US 3551493 (1969, 1970 both to Hoechst). Preliminary chemistry and pharmacology: G. H?rtfelder et al., Arzneim.-Forsch. 22, 930 (1972). Physicochemical and analytical study: P. Hajdu, D. Damm, ibid. 29, 602 (1979). Pharmacology: J. Kaiser et al., ibid. 30, 420 (1980). Action specificity: J. Kaiser ibid. 427. Crystallographic study: J. M. Leger et al., Mol. Pharmacol. 17, 339 (1980). Hemodynamic effects: P. Lund-Johansen, Eur. J. Clin. Pharmacol. 16, 149 (1979). Clinical study in hypertension: J. L. Cangiano et al., J. Clin. Pharmacol. 19, 384 (1979). HPLC determn in plasma: R. K. Bhamra et al., Biomed. Chromatogr. 1, 140 (1986). Review of pharmacology and therapeutic efficacy: R. C. Heel et al., Drugs 22, 1-25 (1981).
Properties: Crystals, mp 68-72°. [a]20D -11.5° (c = 1 in methanol). pKa 9.3 (1.5 mmol/l in 25% ethanol). Sol in methanol, ethanol, chloroform.
Melting point: mp 68-72°
pKa: pKa 9.3 (1.5 mmol/l in 25% ethanol)
Optical Rotation: [a]20D -11.5° (c = 1 in methanol)
 
Derivative Type: Sulfate
CAS Registry Number: 38363-32-5
Manufacturers' Codes: HOE-893d; HOE-39-893d
Trademarks: Betapressin (HMR); Levatol (Schwarz); Paginol (Jugoremedija)
Molecular Formula: (C18H29NO2)2.H2SO4
Molecular Weight: 680.94
Percent Composition: C 63.50%, H 8.88%, N 4.11%, O 18.80%, S 4.71%
Properties: Crystals, mp 216-218° (dec). [a]20D -24.6° (c = 1 in methanol).
Melting point: mp 216-218° (dec)
Optical Rotation: [a]20D -24.6° (c = 1 in methanol)
 
Therap-Cat: Antihypertensive; antianginal; antiarrhythmic.
Keywords: ?Adrenergic Blocker; Antianginal; Antiarrhythmic; Antihypertensive; Aryloxypropanolamine Derivatives.