SpectraBase Spectrum ID |
GUBqBd34moq |
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 |
721 |
Retention Index |
2956 |
SMILES |
C1=2N3C(CN=C(C2C=C(S1)Br)C=1C(=CC=CC1)Cl)=NN=C3C |
SPLASH |
splash10-0006-9452000000-d6b219f35ffa878d06f8 |
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_000339 |