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Basic Information
CAS No.: 4499-40-5
Name: CHOLINE THIEOPHYLLINATE
Molecular Structure:
Molecular Structure of 4499-40-5 (CHOLINE THIEOPHYLLINATE)
Formula: C7H7N4O2•C5H14NO
Molecular Weight: 283.38
Synonyms: Theocolin (TN);Cholecystokinin receptorsCholedyl SA;Choline Theophyllinate B.P. / U.S.P.;Sabidal;Teovent;Choline theophylline;Oxtriphylline (USP);1,3-dimethyl-2-oxo-purin-6-olate; 2-hydroxyethyl-trimethyl-azanium;Choline theophylline (JAN);Ethanaminium,2-hydroxy-N,N,N-trimethyl-,salt with 3,7-dihydro-1,3-dimethyl-1Hpurine- 2,6-dione (1:1);Theocolin;Choline theophyllinate;
EINECS: 224-798-7
Melting Point: 176-178 °C
PSA: 90.01000
LogP: -1.72570
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    NAME Choline Theophyllinate B.P. / U.S.P. [ oxtriphylline ] CHEMICAL FORMULA C12H12N5O3 Molecular weight : 283.3 CAS NUMBER 4499 - 40 - 5 DESCR…

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    CHOLINE THEOPHYLINATE

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Chemistry

Chemistry informtion about Choline, With Theophylline (1:1) (CAS NO.4499-40-5) is:
IUPAC Name: 1,3-Dimethyl-2-Oxopurin-6-Olate ; 2-Hydroxyethyl(Trimethyl)Azanium
Synonyms: Oxtriphylline ; (2-Hydroxyethyl)Trimethylammoniumcompoundwiththeophylline ; Choledyl;Choledylsa400 ; Cholegyl ; Choline,Compd.Withtheophylline(1:1) ; Cholinetheophyllinesalt ; Cholinophylline
MF: C12H21N5O3
MW: 283.33
EINECS: 224-798-7
Boiling Point: 454.1°Cat760mmHg
Flash Point: 228.4°C
Following is the molecular structure of Choline, With Theophylline (1:1) (CAS NO.4499-40-5) is:

Production

Raw materials: Choline hydroxide --> Theophylline

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 intramuscular 185mg/kg (185mg/kg)   Compilation of LD50 Values of New Drugs.
guinea pig LD50 intravenous 118mg/kg (118mg/kg)   Compilation of LD50 Values of New Drugs.
guinea pig LD50 oral 210mg/kg (210mg/kg)   Compilation of LD50 Values of New Drugs.
infant TDLo oral 113mg/kg/31D (113mg/kg)

endocrine: hyperglycemia kidney, ureter, and bladder: other changes in urine composition

 Archives of Disease in Childhood. Vol. 53, Pg. 757, 1978.
man TDLo oral 429mg/kg (429mg/kg)

endocrine: hyperglycemia

 American Journal of Emergency Medicine. Vol. 3, Pg. 408, 1985.
mouse LD50 intramuscular 360mg/kg (360mg/kg)   Compilation of LD50 Values of New Drugs.
mouse LD50 intravenous 112mg/kg (112mg/kg)   Compilation of LD50 Values of New Drugs.
mouse LD50 oral 770mg/kg (770mg/kg)   Compilation of LD50 Values of New Drugs.
rat LD50 intramuscular 240mg/kg (240mg/kg)   Drugs in Japan Vol. 6, Pg. 278, 1982.
rat LD50 intraperitoneal 185mg/kg (185mg/kg)   Drugs in Japan Vol. 6, Pg. 278, 1982.
rat LD50 oral 600mg/kg (600mg/kg)   Drugs in Japan Vol. 6, Pg. 278, 1982.
women TDLo oral 420mg/kg (420mg/kg)

behavioral: tremor behavioral: excitement gastrointestinal: nausea or vomiting

 Southern Medical Journal. Vol. 71, Pg. 965, 1978.

Safety Profile

Poison by ingestion, intravenous, intraperitoneal, and intramuscular routes. Human systemic effects by ingestion: changes in potassium, changes in urine composition, hyperglycemia, metabolic acidosis, nausea or vomiting, tremors, and excitement. When heated to decomposition it emits toxic fumes of NOx and NH3. See also THEOPHYLLINE and CHOLINE.

Specification

Properties about Choline, With Theophylline (1:1) (CAS NO.4499-40-5) are Granules.