2-Oxoquazepam

2-Oxoquazepam
Identifiers
	IUPAC name 7-Chloro-5-(2-fluorophenyl)-1-(2,2,2-trifluoroethyl)-3H-1,4-benzodiazepin-2-one;
CAS Number	49606-44-2 ;
PubChem CID	93250;
ChemSpider	84187 ;
UNII	8T62S796K7;
CompTox Dashboard (EPA)	DTXSID30197932 ;
ECHA InfoCard	100.051.252
Chemical and physical data
Formula	C17H11ClF4N2O
Molar mass	370.73 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES C1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3F)CC(F)(F)F;
	InChI InChI=1S/C17H11ClF4N2O/c18-10-5-6-14-12(7-10)16(11-3-1-2-4-13(11)19)23-8-15(25)24(14)9-17(20,21)22/h1-7H,8-9H2 ; Key:YFSXBSRGIRSXAD-UHFFFAOYSA-N ;
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2-Oxoquazepam (Sch 15725) is a benzodiazepine derivative and one of the major active metabolites of quazepam (Doral).^[1]

References

^ Corda MG, Giorgi O, Longoni B, Ongini E, Montaldo S, Biggio G (1988). "Preferential affinity of 3H-2-oxo-quazepam for type I benzodiazepine recognition sites in the human brain". Life Sciences. 42 (2): 189–97. doi:10.1016/0024-3205(88)90682-0. PMID 2892107.

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Identifiers


IUPAC name 7-Chloro-5-(2-fluorophenyl)-1-(2,2,2-trifluoroethyl)-3H-1,4-benzodiazepin-2-one
CAS Number	49606-44-2^Y
PubChem CID	93250
ChemSpider	84187^Y
UNII	8T62S796K7
CompTox Dashboard (EPA)	DTXSID30197932
ECHA InfoCard	100.051.252
Chemical and physical data
Formula	C₁₇H₁₁ClF₄N₂O
Molar mass	370.73 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES C1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3F)CC(F)(F)F
InChI InChI=1S/C17H11ClF4N2O/c18-10-5-6-14-12(7-10)16(11-3-1-2-4-13(11)19)23-8-15(25)24(14)9-17(20,21)22/h1-7H,8-9H2^N Key:YFSXBSRGIRSXAD-UHFFFAOYSA-N^N
^NY (what is this?) (verify)