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CAS No 111902-57-9 , Temocapril

  • Name: Temocapril
  • Synonyms: Temocapril;2-[(2S)-6-[[(1S)-1-Ethoxycarbonyl-3-phenyl-propyl]amino]-5-oxo-2-thiophen-2-yl-1,4-thiazepan-4-yl]acetic acid;
  • CAS Registry Number:
  • Melting Point: 1680C
  • Density: 1.33 g/cm3
  • Molecular Weight: 476.61
  • InChI: InChI=1/C21H24N2O5S2/c24-19(25)12-23-11-18(17-7-4-10-29-17)30-13-16(20(23)26)22-15(21(27)28)9-8-14-5-2-1-3-6-14/h1-7,10,15-16,18,22H,8-9,11-13H2,(H,24,25)(H,27,28)/t15-,16-,18-/m0/s1
  • Molecular Formula: C23H28N2O5S2
  • Molecular Structure:CAS No:111902-57-9 Temocapril

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References of Temocapril
Title: Temocapril
CAS Registry Number: 111902-57-9
CAS Name: (2S,6R)-6-[[(1S)-1-(Ethoxycarbonyl)-3-phenylpropyl]amino]tetrahydro-5-oxo-2-(2-thienyl)-1,4-thiazepine-4(5H)-acetic acid
Synonyms: (+)-(2S,6R)-6-[[(1S)-1-carboxy-3-phenylpropyl]amino]tetrahydro-5-oxo-2-(2-thienyl)-1,4-thiazepine-4(5H)-acetic acid, 6-ethyl ester
Molecular Formula: C23H28N2O5S2
Molecular Weight: 476.61
Percent Composition: C 57.96%, H 5.92%, N 5.88%, O 16.78%, S 13.46%
Literature References: Angiotensin-converting enzyme (ACE) inhibitor. Hydrolyzed in vivo to the active diacid metabolite. Prepn: H. Yanagisawa et al., EP 161801; eidem, US 4699905 (1985, 1987 both to Sankyo); idem et al., J. Med. Chem. 30, 1984 (1987). Pharmacology: K. Oizumi et al., Jpn. J. Pharmacol. 48, 349 (1988). GC/MS determn in human plasma and urine: H. Shioya et al., J. Chromatogr. 496, 129 (1989). Clinical evaluation: M. Arita et al., Clin. Exp. Pharmacol. Physiol. 21, 195 (1994); and pharmacokinetics: S. Tokunaga et al., Drug Invest. 7, 161 (1994). Review: H. Koike et al., Annu. Rep. Sankyo Res. Lab. 44, 1-81 (1992).
Properties: Cryst powder, mp 168°. [a]23 +40° (c = 1.1 in DMF).
Melting point: mp 168°
Optical Rotation: [a]23 +40° (c = 1.1 in DMF)
 
Derivative Type: Hydrochloride
CAS Registry Number: 110221-44-8
Manufacturers' Codes: CS-622
Trademarks: Acecol (Sankyo)
Properties: Solid from ethanol/ethyl acetate, mp 187° (dec). [a]25D +47.7° (c = 1 in DMF). LD50 in mice, rats, dogs (mg/kg): >5000, >5000, >800 orally (Koike).
Melting point: mp 187° (dec)
Optical Rotation: [a]25D +47.7° (c = 1 in DMF)
Toxicity data: LD50 in mice, rats, dogs (mg/kg): >5000, >5000, >800 orally (Koike)
 
Derivative Type: Diacid
CAS Registry Number: 110221-53-9
Synonyms: Temocaprilat
Manufacturers' Codes: RS-5139
Molecular Formula: C21H24N2O5S2
Molecular Weight: 448.56
Percent Composition: C 56.23%, H 5.39%, N 6.25%, O 17.83%, S 14.30%
Properties: Solid from ethanol, mp 246° (dec). [a]25D +63.4° (c = 1 in DMF).
Melting point: mp 246° (dec)
Optical Rotation: [a]25D +63.4° (c = 1 in DMF)
 
Therap-Cat: Antihypertensive.
Keywords: ACE-Inhibitor; Antihypertensive; N-Carboxyalkyl (peptide/lactam) Derivatives.