| SpectraBase Spectrum ID |
64Elwjcaeot |
| Name |
Brotizolam |
| CAS Registry Number |
57801-81-7 |
| Classification |
Pharmaceutical drug, anxiolytic |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
391.949808212 u |
| Formula |
C15H10BrClN4S |
| InChI |
InChI=1S/C15H10BrClN4S/c1-8-19-20-13-7-18-14(9-4-2-3-5-11(9)17)10-6-12(16)22-15(10)21(8)13/h2-6H,7H2,1H3 |
| InChIKey |
UMSGKTJDUHERQW-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
393.690 g/mol |
| Nominal Mass |
392 u |
| Quality |
837 |
| Retention Index |
2956 |
| SMILES |
C1=2N3C(CN=C(C2C=C(S1)Br)C=1C(=CC=CC1)Cl)=NN=C3C |
| SPLASH |
splash10-0006-1549000000-eb647949d5cd2066cb61 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-Bromo-4-(2-chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine |
| Technique |
GC/MS |
| Wiley ID |
DD2024_009252 |
