Ro48-8684

Ro48-8684
Identifiers
	IUPAC name 3-(5-dipropylaminomethyloxazol-2-yl)-8-fluoro-5-methyl-5,6-dihydro-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one;
CAS Number	179634-04-9;
PubChem CID	9866317;
ChemSpider	8042008;
CompTox Dashboard (EPA)	DTXSID101029266 ;
Chemical and physical data
Formula	C22H26FN5O2
Molar mass	411.481 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES CCCN(CC1=CN=C(C2=C(CN(C(C3=C4C=CC(F)=C3)=O)C)N4C=N2)O1)CCC;
	InChI InChI=1S/C22H26FN5O2/c1-4-8-27(9-5-2)12-16-11-24-21(30-16)20-19-13-26(3)22(29)17-10-15(23)6-7-18(17)28(19)14-25-20/h6-7,10-11,14H,4-5,8-9,12-13H2,1-3H3; Key:YKKLHEHNUYCLQQ-UHFFFAOYSA-N;
	(verify)

Ro48-8684 is a water-soluble benzodiazepine derivative developed by Hoffman-LaRoche in the 1990s, which was designed along with Ro48-6791 as an improved replacement for midazolam, but ultimately proved to have little advantages over the parent drug and has not been introduced into clinical practice.^[1]^[2]

CAS Number

179634-04-9

PubChem CID

9866317

ChemSpider

8042008

CompTox Dashboard (EPA)

DTXSID101029266

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Ro48-8684

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Identifiers

IUPAC name 3-(5-dipropylaminomethyloxazol-2-yl)-8-fluoro-5-methyl-5,6-dihydro-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
CAS Number	179634-04-9
PubChem CID	9866317
ChemSpider	8042008
CompTox Dashboard (EPA)	DTXSID101029266
Chemical and physical data
Formula	C₂₂H₂₆FN₅O₂
Molar mass	411.481 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES CCCN(CC1=CN=C(C2=C(CN(C(C3=C4C=CC(F)=C3)=O)C)N4C=N2)O1)CCC
InChI InChI=1S/C22H26FN5O2/c1-4-8-27(9-5-2)12-16-11-24-21(30-16)20-19-13-26(3)22(29)17-10-15(23)6-7-18(17)28(19)14-25-20/h6-7,10-11,14H,4-5,8-9,12-13H2,1-3H3 Key:YKKLHEHNUYCLQQ-UHFFFAOYSA-N
(verify)