CAS No 652-37-9 , 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid Search by region : India

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:652-37-9
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:

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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.