Flubrotizolam information

Flubrotizolam
Legal status
Legal status	DE: NpSG (Industrial and scientific use only); UK: Under Psychoactive Substances Act;
Identifiers
	IUPAC name 4-bromo-7-(2-fluorophenyl)-13-methyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;
CAS Number	57801-95-3 ;
PubChem CID	3044878;
UNII	ZWK85P59MH;
CompTox Dashboard (EPA)	DTXSID80206503 ;
Chemical and physical data
Formula	C15H10BrFN4S
Molar mass	377.24 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES CC1=NN=C2N1C3=C(C=C(S3)Br)C(=NC2)C4=CC=CC=C4F;
	InChI InChI=1S/C15H10BrFN4S/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; Key:VOZDBDBHBXLWCG-UHFFFAOYSA-N;

Flubrotizolam (2-bromo-4-(2-fluorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine) is a thienotriazolodiazepine derivative with potent sedative and anxiolytic effects, which has been sold as a designer drug.^[1]^[2]^[3]

^ US 4094984, Weber KH, Bauer A, Danneburg P, Kuhn FJ, "6-Phenyl-8-bromo-4H-s-triazolo-[3,4C]-thieno-[2,3E]-1,4-diazepines and salts thereof.", issued 13 June 1978, assigned to Boehringer Ingelheim
^ Catalani V, Botha M, Corkery JM, Guirguis A, Vento A, Scherbaum N, Schifano F (July 2021). "The Psychonauts' Benzodiazepines; Quantitative Structure-Activity Relationship (QSAR) Analysis and Docking Prediction of Their Biological Activity". Pharmaceuticals. 14 (8): 720. doi:10.3390/ph14080720. PMC 8398354. PMID 34451817.
^ Catalani V, Floresta G, Botha M, Corkery JM, Guirguis A, Vento A, et al. (January 2023). "In silico studies on recreational drugs: 3D quantitative structure activity relationship prediction of classified and de novo designer benzodiazepines". Chemical Biology & Drug Design. 101 (1): 40–51. doi:10.1111/cbdd.14119. hdl:2299/25749. PMID 35838189. S2CID 250559695.

[1] US 4094984, Weber KH, Bauer A, Danneburg P, Kuhn FJ, "6-Phenyl-8-bromo-4H-s-triazolo-[3,4C]-thieno-[2,3E]-1,4-diazepines and salts thereof.", issued 13 June 1978, assigned to Boehringer Ingelheim

[pmid34451817-2] Catalani V, Botha M, Corkery JM, Guirguis A, Vento A, Scherbaum N, Schifano F (July 2021). "The Psychonauts' Benzodiazepines; Quantitative Structure-Activity Relationship (QSAR) Analysis and Docking Prediction of Their Biological Activity". Pharmaceuticals. 14 (8): 720. doi:10.3390/ph14080720. PMC 8398354. PMID 34451817.

[3] Catalani V, Floresta G, Botha M, Corkery JM, Guirguis A, Vento A, et al. (January 2023). "In silico studies on recreational drugs: 3D quantitative structure activity relationship prediction of classified and de novo designer benzodiazepines". Chemical Biology & Drug Design. 101 (1): 40–51. doi:10.1111/cbdd.14119. hdl:2299/25749. PMID 35838189. S2CID 250559695.

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