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52453-04-0

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Basic Information
CAS No.: 52453-04-0
Name: acecobarb
Molecular Structure:
Molecular Structure of 52453-04-0 (acecobarb)
Formula: C18H21NO3•C12H12N2O3•C10H13NO2•C9H8O4•C8H10N4O2•H3O4P
Molecular Weight: 1183.29
Synonyms: Acecobarb;Morphinan-6-ol,7,8-didehydro-4,5-epoxy-3- methoxy-17-methyl-,(5R,6R)-,phosphate (1:1) (salt),mixt. with 2-(acetyloxy)benzoic acid,3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6- dione,N-(4-ethoxyphenyl)acetamide and 5-ethyl-5-phenyl-2,4,6(1H,3H,5H)- pyrimidinetrione;Dolviran (old);MORPHINAN-6-OL, 7,8-DIDEHYDRO-4,5-EPOXY-3-METHOXY-17-METHYL-, (5-α,6-α)-, PHOSPHATE(1:1) (SALT), MIXT. WITH 2-(ACETYLOXY)-BENZOIC ACID, 3,7-DIHYDRO-1,3,7-TRIMETHYL-1H-PURINE-2,6-DIONE, N-(4-ETHOXYPHENYL)ACETAMIDE AND 5-ETHYL-5-PHENYL-2,4,6(1H,3H,5H)-PYRIMIDINETRIONE;DOLVIRAN;
Safety: Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NOx and POx.
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Chemistry

 Sedalgin with CAS register number of 52453-04-0 is also named as Acecobarb ; Dolviran ; Sedalgin ; CID5492635 ; LS-91932 ; Aspirin mixture with caffeine, codeine, phenacetin and phenobarbital ; Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, (5-alpha,6-alpha)-, phosphate(1:1) (salt), mixt. with 2-(acetyloxy)benzoic acid, 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione, N-(4-ethoxyphenyl)acetamide and 5-ethyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione ; Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, (5alpha,6alpha)-, phosphate (1:1) (salt), mixt. with 2-(acetyloxy)benzoic acid, 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione, N-(4-ethoxyphenyl)acetamide and 5-ethyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione ,and so on.
CAS: 52453-04-0
Molecular Formula: C57H67N8O18P
Molecular Weight: 1183.1584
Molecular structure:
ACD/LogP: 1.20 
ACD/LogD (pH 5.5): -1.41 
ACD/LogD (pH 7.4): 0.27 
ACD/BCF (pH 5.5): 1 
ACD/BCF (pH 7.4): 1 
ACD/KOC (pH 5.5): 1 
ACD/KOC (pH 7.4): 12.48 
H bond acceptors: 4 
H bond donors: 1 
Freely Rotating Bonds: 2 
Flash Point: 233.2 °C 
Enthalpy of Vaporization: 76.18 kJ/mol 
Boiling Point: 462 °C at 760 mmHg 
Vapour Pressure: 2.47E-09 mmHg at 25°C 

Uses

 Sedalgin (CAS No.52453-04-0) is commonly used as chemical reagent.

Toxicity Data With Reference

1.    

orl-rat LD50:3300 mg/kg

     EKMMA8    Eksperimentalna Meditsina i Morfologiya. 22 (1)(1983),39.

Safety Profile

 Sedalgin (CAS No.52453-04-0) is moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NOx and POx.