Basic information
- Name:
Ethanaminium,N,N-diethyl-N-methyl-2-[(9H-xanthen-9-ylcarbonyl)oxy]-, bromide (1:1)
- CAS No.:
53-46-3
- Molecular Structure:
![Molecular Structure of 53-46-3 (Ethanaminium,N,N-diethyl-N-methyl-2-[(9H-xanthen-9-ylcarbonyl)oxy]-, bromide (1:1))](http://www.lookchem.com/300w/2010/0622/53-46-3.jpg)
- Formula:
- C21H26 N O3 . Br
- Molecular Weight:
- 420.39
- Synonyms:
- Ammonium,diethyl(2-hydroxyethyl)methyl-, bromide, xanthene-9-carboxylate (8CI);Diethyl(2-hydroxyethyl)methylammonium bromide, xanthene-9-carboxylate (7CI);Ethanaminium, N,N-diethyl-N-methyl-2-[(9H-xanthen-9-ylcarbonyl)oxy]-, bromide(9CI); Asabaine; Avagal; Banthin; Banthine; Banthine bromide; Doladene;Frenogastrico; Gastron; Gastrosedan; MTB 51; Mantheline; Metantyl; Metanyl;Metaxan; Methanide; Methantheline bromide; Methanthelinium bromide; Methanthinebromide; Methelina; Resobantin; SC 2910; Ulcine; Ulcudexter; Uldumont; Vagamin;Vagantin; Xanteline; b-Diethylaminoethyl xanthene-9-carboxylate methobromide
- Density:
- g/cm3
- Boiling Point:
- °Cat760mmHg
- Flash Point:
- °C
- Safety Description:
- Poison by intraperitoneal and intravenous routes. Moderately toxic by ingestion and subcutaneous routes. Unspecified human reproductive effects. When heated to decomposition it emits very toxic fumes of NOx, NH3, and Br−. Details
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Chemistry
Product Name: Xanthine bromide (CAS NO.53-46-3)

Molecular Formula: C21H26BrNO3
Molecular Weight: 420.34g/mol
Mol File: 53-46-3.mol
H-Bond Donor: 0
H-Bond Acceptor: 4
Rotatable Bond Count: 7
Topological Polar Surface Area: 35.5
Heavy Atom Count: 26
Complexity: 426
Covalently-Bonded Unit Count: 2
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| dog | LDLo | intravenous | 23mg/kg (23mg/kg) | Proceedings of the Society for Experimental Biology and Medicine. Vol. 78, Pg. 576, 1951. | |
| dog | LDLo | oral | 460mg/kg (460mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 104, Pg. 54, 1952. | |
| mouse | LD50 | intraperitoneal | 46mg/kg (46mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 106, Pg. 141, 1952. | |
| mouse | LD50 | intravenous | 4300ug/kg (4.3mg/kg) | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 105, Pg. 221, 1956. | |
| mouse | LD50 | oral | 460mg/kg (460mg/kg) | Drugs in Japan Vol. 6, Pg. 357, 1982. | |
| mouse | LDLo | subcutaneous | 395mg/kg (395mg/kg) | United States Patent Document. Vol. #3714357, | |
| rat | LD50 | intravenous | 4800ug/kg (4.8mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | Toxicology and Applied Pharmacology. Vol. 1, Pg. 391, 1959. |
| rat | LD50 | oral | 400mg/kg (400mg/kg) | Proceedings of the Society for Experimental Biology and Medicine. Vol. 78, Pg. 708, 1951. | |
| rat | LDLo | subcutaneous | 320mg/kg (320mg/kg) | United States Patent Document. Vol. #3714357, |
Safety Profile
Poison by intraperitoneal and intravenous routes. Moderately toxic by ingestion and subcutaneous routes. Unspecified human reproductive effects. When heated to decomposition it emits very toxic fumes of NOx, NH3, and Br−.
Specification
Xanthine bromide ,its CAS NO. is 53-46-3,the synonyms is Asabaine ; Avagal ; Banthin ; Banthine ; Bromure de methanthelinum ; Diethyl(2-hydroxyethyl)methylammonium bromide xanthene-9-carboxylate ; Dixamone bromide ; Doladene ; Ethanaminium, N,N-diethyl-N-methyl-2-((9H-xanthen-9-ylcarbonyl)oxy)-, bromide ; Frenogastrico ; Gastron ; Gastrosedan ; Metantelinio bromuro ; Methanide ; Methantheline bromide ; Methanthelinii bromidum ; Vagamin ; Xanteline ; Xanthene-9-carboxylic acid, ester with diethyl(2-hydroxyethyl)methylammonium bromide ; beta-Diethylaminoethyl xanthene-9-carboxylate methobromide ; Ammonium, diethyl(2-hydroxyethyl)methyl-, bromide, xanthene-9-carboxylate ; Ethanaminium, N,N-diethyl-N-methyl-2-((9H-xanthen-9-ylcarbonyl)oxy)-, bromide .

