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CAS No 652-37-9 , 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid

  • Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid
  • Synonyms: Carboxymethyltheophylline; Theophyllineacetic acid; Acephylline; 7-(Carboxymethyl)theophylline;Theophylline-7-acetic acid;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid; 652-37-9;
  • CAS Registry Number:
  • Melting Point: 270-272 ºC
  • Flash Point: 289.9°C
  • Boiling Point: 269-271 C
  • Density: 1.64 g/cm3
  • Safety Statements: R36/37/38
  • Hazard Symbols: Xi: Irritant;
  • Flash Point: 289.9°C
  • EINECS: 211-490-2
  • Molecular Weight: 238.2001
  • InchiKey: HCYFGRCYSCXKNQ-UHFFFAOYSA-N
  • InChI: InChI=1S/C9H10N4O4/c1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15/h4H,
    3H2,1-2H3,(H,14,15)
  • Risk Statements: S26;S36
  • Molecular Formula: C9H10N4O4
  • Molecular Structure:CAS No:652-37-9 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid

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652-37-9 Theophylline-7-acetic acid

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References of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid
Title: Acefylline
CAS Registry Number: 652-37-9
CAS Name: 1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxopurine-7-acetic acid
Synonyms: carboxymethyltheophylline; 7-theophyllineacetic acid
Molecular Formula: C9H10N4O4
Molecular Weight: 238.20
Percent Composition: C 45.38%, H 4.23%, N 23.52%, O 26.87%
Literature References: Prepn: DE 352980 (1922 to E. Merck); Frdl. 14, 1320; S. M. Ride et al., Pharmazie 32, 672 (1977). Prepn of salts: J. Baisse, Bull. Soc. Chim. Fr. 1949, 769; M. Milletti, F. Virgili, Chimica 6, 394 (1951), C.A. 46, 8615h (1952). GC determn in urine: J. Zuidema, H. Hilbers, J. Chromatogr. 182, 445 (1980). HPLC determn in serum and pharmacokinetics: S. Sved et al., Biopharm. Drug Dispos. 2, 177 (1981).
Properties: Crystals from water, mp 271°.
Melting point: mp 271°
 
Derivative Type: Sodium salt
CAS Registry Number: 837-27-4
Molecular Formula: C9H9N4NaO4
Molecular Weight: 260.18
Percent Composition: C 41.55%, H 3.49%, N 21.53%, Na 8.84%, O 24.60%
Properties: Silky needles, mp >300°.
Melting point: mp >300°
 
Derivative Type: Compd with piperazine
Synonyms: Acefylline piperazine; acepifylline
Trademarks: Dynaphylline (Welcker-Lyster); Etaphylline (Delalande); Etafillina (Delalande)
Properties: Undefined mixture of the 1:1 and 2:1 salts; contains 75-78% theophylline acetic acid and 22-25% anhydrous piperazine.
 
Therap-Cat: Bronchodilator.
Keywords: Bronchodilator; Xanthine Derivatives.