Ro07-5220

Ro07-5220
Legal status
Legal status	CA: Schedule IV; DE: NpSG (Industrial and scientific use only); UK: Under Psychoactive Substances Act;
Identifiers
	IUPAC name 7-chloro-5-(2,6-dichlorophenyl)-1-methyl-3H-1,4-benzodiazepin-2-one;
CAS Number	30144-88-8;
PubChem CID	9975396;
ChemSpider	8150988;
ChEMBL	ChEMBL9689;
CompTox Dashboard (EPA)	DTXSID40877930 ;
Chemical and physical data
Formula	C16H11Cl3N2O
Molar mass	353.63 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=C(C=CC=C3Cl)Cl;
	InChI InChI=1S/C16H11Cl3N2O/c1-21-13-6-5-9(17)7-10(13)16(20-8-14(21)22)15-11(18)3-2-4-12(15)19/h2-7H,8H2,1H3; Key:OTQXKRRISJPTFS-UHFFFAOYSA-N;

Ro07-5220 (6'-Chlorodiclazepam) is a benzodiazepine derivative with sedative, anxiolytic, anticonvulsant and muscle relaxant effects,^[1]^[2]^[3] which has been sold as a designer drug.^[4]

References

^ Fryer RI, Leimgruber W, Trybulski EJ (September 1982). "Quinazolines and 1,4-benzodiazepines. 90. Structure-activity relationship between substituted 2-amino-N-(2-benzoyl-4-chlorophenyl)acetamides and 1,4-benzodiazepinones". Journal of Medicinal Chemistry. 25 (9): 1050–5. doi:10.1021/jm00351a009. PMID 6127410.
^ Maddalena DJ, Johnston GA (February 1995). "Prediction of receptor properties and binding affinity of ligands to benzodiazepine/GABAA receptors using artificial neural networks". Journal of Medicinal Chemistry. 38 (4): 715–24. doi:10.1021/jm00004a017. PMID 7861419.
^ Richter L, de Graaf C, Sieghart W, Varagic Z, Mörzinger M, de Esch IJ, Ecker GF, Ernst M (March 2012). "Diazepam-bound GABAA receptor models identify new benzodiazepine binding-site ligands". Nature Chemical Biology. 8 (5): 455–64. doi:10.1038/nchembio.917. PMC 3368153. PMID 22446838.
^ 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 (Basel, Switzerland). 14 (8): 720. doi:10.3390/ph14080720. PMC 8398354. PMID 34451817.

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Legal status

Legal status	CA: Schedule IV DE: NpSG (Industrial and scientific use only) UK: Under Psychoactive Substances Act
Identifiers
IUPAC name 7-chloro-5-(2,6-dichlorophenyl)-1-methyl-3H-1,4-benzodiazepin-2-one
CAS Number	30144-88-8
PubChem CID	9975396
ChemSpider	8150988
ChEMBL	ChEMBL9689
CompTox Dashboard (EPA)	DTXSID40877930
Chemical and physical data
Formula	C₁₆H₁₁Cl₃N₂O
Molar mass	353.63 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=C(C=CC=C3Cl)Cl
InChI InChI=1S/C16H11Cl3N2O/c1-21-13-6-5-9(17)7-10(13)16(20-8-14(21)22)15-11(18)3-2-4-12(15)19/h2-7H,8H2,1H3 Key:OTQXKRRISJPTFS-UHFFFAOYSA-N