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| CAS No.: | 511-55-7 |
|---|---|
| Name: | xenytropium bromide |
| Molecular Structure: | |
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| Formula: | C30H34 N O3 . Br |
| Molecular Weight: | 536.509 |
| Synonyms: | 1aH,5aH-Tropanium, 3a-hydroxy-8-(p-phenylbenzyl)-, bromide, (?à)-tropate (8CI);8-(p-Phenylbenzyl)atropinium bromide (6CI,7CI); 8-Azoniabicyclo[3.2.1]octane,8-([1,1'-biphenyl]-4-ylmethyl)-3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-,bromide, (3-endo)- (9CI); 8-Azoniabicyclo[3.2.1]octane,8-([1,1'-biphenyl]-4-ylmethyl)-3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-,bromide, endo-(?à)-;Tropic acid, (?à)-,ester with 3a-hydroxy-8-(p-phenylbenzyl)-1aH,5aH-tropanium bromide (8CI);4-Diphenylmethyl-dl-tropyltropinium bromide; 4-Diphenylmethyltropyltropiniumbromide, (?à)-; 8-(p-Biphenylmethyl)-3a-(dl-tropoyloxy)tropiniumbromide; 8-(p-Phenylbenzyl)atropinium bromide, (?à)-; 8-Azoniabicyclo[3.2.1]octane,8-([1,1'-biphenyl]-4-ylmethyl)-3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-,bromide, endo-; Dendrepar; Gastripon; Gastropin; N 399; Xenytropium bromide;Xenytropium bromide, (?à)-; p-Biphenylmethyl(dl-tropyl-a-tropinium)bromide |
| Density: | g/cm3 |
| Boiling Point: | °Cat760mmHg |
| Flash Point: | °C |
| Safety: | Poison by intravenous, subcutaneous, and intraperitoneal routes. Moderately toxic by ingestion. Experimental reproductive effects. When heated to decomposition it emits very toxic fumes of NOx and Br−. See also BROMIDES. |
| PSA: | 46.53000 |
| LogP: | 2.27570 |
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Chemistry
Molecular Structure of 8-(P-phenylbenzyl)atropinium bromide (CAS NO.511-55-7):
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IUPAC Name: [8-methyl-8-[(4-phenylphenyl)methyl]-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate bromide
Empirical Formula: C30H34BrNO3
Molecular Weight: 536.4999
Classification Code: Drug / Therapeutic Agent
Toxicity Data With Reference
| 1. | orl-rat LD50:1880 mg/kg | OYYAA2 Oyo Yakuri. Pharmacometrics. 8 (1974),533. | ||
| 2. | ipr-rat LD50:66 mg/kg | OYYAA2 Oyo Yakuri. Pharmacometrics. 8 (1974),533. | ||
| 3. | scu-rat LD50:243 mg/kg | OYYAA2 Oyo Yakuri. Pharmacometrics. 8 (1974),533. | ||
| 4. | ivn-rat LD50:9400 µg/kg | AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 113 (1957),1. | ||
| 5. | orl-mus LD50:1650 mg/kg | OYYAA2 Oyo Yakuri. Pharmacometrics. 8 (1974),533. | ||
| 6. | ipr-mus LD50:37,100 µg/kg | OYYAA2 Oyo Yakuri. Pharmacometrics. 8 (1974),533. | ||
| 7. | scu-mus LD50:173 mg/kg | OYYAA2 Oyo Yakuri. Pharmacometrics. 8 (1974),533. | ||
| 8. | ivn-mus LD50:9200 µg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 16 (1966),637. | ||
| 9. | ivn-rbt LDLo:7 mg/kg | AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 113 (1957),1. | ||
| 10. | ipr-gpg LDLo:30 mg/kg | AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 113 (1957),1. |
Safety Profile
Poison by intravenous, subcutaneous, and intraperitoneal routes. Moderately toxic by ingestion. Experimental reproductive effects. When heated to decomposition it emits very toxic fumes of NOx and Br−. See also BROMIDES.
Specification
8-(P-phenylbenzyl)atropinium bromide ,with CAS number of 511-55-7,can be called p-Biphenylmethyl-(dl-tropyl-alpha-tropinium)bromide ; N-(p-Biphenylmethyl)-atropinium bromide ; 4-Diphenylmethyl-dl-tropyltropinium bromide ; 1-alpha-H,5-alpha-H-Tropanium, 3-alpha-hydroxy-8-(p-phenylbenzyl)-, bromide, (+-)-tropate and so on.