Fluadinazolam information

Fluadinazolam
Identifiers
	IUPAC name 8-chloro-6-(2-fluorophenyl)-1-(N,N-dimethylaminomethyl)-4H-benzo[f][1,2,4]triazolo[4,3-a][1,4]diazepine;
CAS Number	37391-59-6;
PubChem CID	21537253;
CompTox Dashboard (EPA)	DTXSID701337059 ;
Chemical and physical data
Formula	C19H17ClFN5
Molar mass	369.83 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES CN(C)CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4F;
	InChI InChI=1S/C19H17ClFN5/c1-25(2)11-18-24-23-17-10-22-19(13-5-3-4-6-15(13)21)14-9-12(20)7-8-16(14)26(17)18/h3-9H,10-11H2,1-2H3; Key:YCELIAHHTLUQQU-UHFFFAOYSA-N;

Fluadinazolam is a benzodiazepine derivative developed in 1973, with sedative and anxiolytic effects.^[1] It is a derivative of the never commercially marketed benzodiazepine adinazolam and has similarly been sold as a designer drug.^[2]

^ US 3957761, Gall M, Hester JB, "Process for the production of 1-aminomethyl-6-phenyl-4h-s-triazolo-[4,3-a][1]benzodiazepines and intermediates", issued 18 May 1976, assigned to Pharmacia and Upjohn
^ 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). Basel, Switzerland: 720. doi:10.3390/ph14080720. PMC 8398354. PMID 34451817.

[1] US 3957761, Gall M, Hester JB, "Process for the production of 1-aminomethyl-6-phenyl-4h-s-triazolo-[4,3-a][1]benzodiazepines and intermediates", issued 18 May 1976, assigned to Pharmacia and Upjohn

[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). Basel, Switzerland: 720. doi:10.3390/ph14080720. PMC 8398354. PMID 34451817.

Fluadinazolam information

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Identifiers

IUPAC name 8-chloro-6-(2-fluorophenyl)-1-(N,N-dimethylaminomethyl)-4H-benzo[f][1,2,4]triazolo[4,3-a][1,4]diazepine
CAS Number	37391-59-6
PubChem CID	21537253
CompTox Dashboard (EPA)	DTXSID701337059
Chemical and physical data
Formula	C₁₉H₁₇ClFN₅
Molar mass	369.83 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES CN(C)CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4F
InChI InChI=1S/C19H17ClFN5/c1-25(2)11-18-24-23-17-10-22-19(13-5-3-4-6-15(13)21)14-9-12(20)7-8-16(14)26(17)18/h3-9H,10-11H2,1-2H3 Key:YCELIAHHTLUQQU-UHFFFAOYSA-N