| Chemical & Physical Properties | |
|---|---|
| CAS Number | 84379-13-5 |
| Catalog No. | 2A-9091417 |
| Chinese Name | 溴他西尼 |
| Synonyms | Ro 16-6028; Ro-16-6028; Bretazenil |
| Molecular Formula | C19H20BrN3O3 |
| Molecular Weight | 418.284 |
| Purity | 98.00 |
| Density | 1.6±0.1 g/cm3 |
| Boiling Point | 594.3±50.0 °C at 760 mmHg |
| Appearance | solid | white |
| Water Solubility | DMSO: 24 mg/mL, soluble |
| Storage Condition | 2-8°C |
| PubChem ID | 10234504 |
| SMILES | CC(C)(C)OC(=O)c1ncn2c1C1CCCN1C(=O)c1c(Br)cccc1-2 |
| InChI | InChI=1S/C19H20BrN3O3/c1-19(2,3)26-18(25)15-16-13-8-5-9-22(13)17(24)14-11(20)6-4-7-12(14)23(16)10-21-15/h4,6-7,10,13H,5,8-9H2,1-3H3/t13-/m0/s1 |
| InChI Key | LWUDDYHYYNNIQI-ZDUSSCGKSA-N |
| Hazard Symbols | transportation |
| Use of | Bretazenil, also known as Ro 16-6028, is GABA A receptor agonist potentially for the treatment of anxiety disorders. Bretazenil differs from traditional 1,4-benzodiazepines by being a partial agonist and because it binds to α1, α2, α3, α4, α5 and α6 subunit containing GABAA receptor benzodiazepine receptor complexes. 1,4-benzodiazepines bind only to α1, α2, α3 and α5 GABAA benzodiazepine receptor complexes. Properties Articles28 Name Bretazenil Synonym More Synonyms Chemical & Physical Properties Molecular Formula C19H20BrN3O3 Exact Mass 417.068787 PSA 64.43000 Appearance of Characters solid | white Index of Refraction 1.685 InChIKey LWUDDYHYYNNIQI-ZDUSSCGKSA-N |
| Transport Info | Shipping Name: UN |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 United Nations shipping name European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special reminder to users No data available See reverse side of invoice or packing slip. |
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