Chemistry:Atibeprone

Atibeprone
Clinical data
ATC code	None;
Identifiers
	IUPAC name 3,4-dimethyl-7-{[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]methoxy}-2H-chromen-2-one;
CAS Number	153420-96-3 ;
PubChem CID	179342;
ChemSpider	156109 ;
UNII	PZV3P03F1U;
ChEMBL	ChEMBL19004 ;
Chemical and physical data
Formula	C17H18N2O3S
Molar mass	330.40 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES O=C/2Oc3cc(OCc1nnc(s1)C(C)C)ccc3\C(=C\2C)C;
	InChI InChI=1S/C17H18N2O3S/c1-9(2)16-19-18-15(23-16)8-21-12-5-6-13-10(3)11(4)17(20)22-14(13)7-12/h5-7,9H,8H2,1-4H3 ; Key:HQTNJPCZUQAYAB-UHFFFAOYSA-N ;
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Short description: Chemical compound

Atibeprone is an antidepressant which was developed in the mid-1990s, but was never marketed.^[1]

References

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Original source: https://en.wikipedia.org/wiki/Atibeprone. Read more

Clinical data

ATC code	None
Identifiers
IUPAC name 3,4-dimethyl-7-{[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]methoxy}-2H-chromen-2-one
CAS Number	153420-96-3^N
PubChem CID	179342
ChemSpider	156109^Y
UNII	PZV3P03F1U
ChEMBL	ChEMBL19004^Y
Chemical and physical data
Formula	C₁₇H₁₈N₂O₃S
Molar mass	330.40 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES O=C/2Oc3cc(OCc1nnc(s1)C(C)C)ccc3\C(=C\2C)C
InChI InChI=1S/C17H18N2O3S/c1-9(2)16-19-18-15(23-16)8-21-12-5-6-13-10(3)11(4)17(20)22-14(13)7-12/h5-7,9H,8H2,1-4H3^Y Key:HQTNJPCZUQAYAB-UHFFFAOYSA-N^Y
^NY (what is this?) (verify)