S6821

S6821
Identifiers
	IUPAC name 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(3-hydroxyphenyl)methyl]imidazolidine-2,4-dione;
CAS Number	1119831-25-2;
PubChem CID	57422431;
ChemSpider	26233877;
UNII	1P43YY1KO2;
ChEMBL	ChEMBL3924866;
CompTox Dashboard (EPA)	DTXSID401020013 ;
Chemical and physical data
Formula	C19H19N5O4
Molar mass	381.392 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES CC1=C(C(=NO1)C)CN2C=C(C=N2)N3C(=O)CN(C3=O)CC4=CC(=CC=C4)O;
	InChI InChI=1S/C19H19N5O4/c1-12-17(13(2)28-21-12)10-23-9-15(7-20-23)24-18(26)11-22(19(24)27)8-14-4-3-5-16(25)6-14/h3-7,9,25H,8,10-11H2,1-2H3; Key:LLJBKECMPVCSDS-UHFFFAOYSA-N;

S6821 is a food additive that acts as a potent and selective antagonist of the bitter taste receptor TAS2R8. It has been approved as a food additive to block the bitter taste of certain active pharmaceutical ingredients, excipients, and nutraceuticals which primarily produce their bitter taste through binding to TAS2R8.^[1]^[2]

CAS Number

1119831-25-2

PubChem CID

57422431

ChemSpider

26233877

UNII

1P43YY1KO2

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S6821

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Identifiers

IUPAC name 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(3-hydroxyphenyl)methyl]imidazolidine-2,4-dione
CAS Number	1119831-25-2
PubChem CID	57422431
ChemSpider	26233877
UNII	1P43YY1KO2
ChEMBL	ChEMBL3924866
CompTox Dashboard (EPA)	DTXSID401020013
Chemical and physical data
Formula	C₁₉H₁₉N₅O₄
Molar mass	381.392 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES CC1=C(C(=NO1)C)CN2C=C(C=N2)N3C(=O)CN(C3=O)CC4=CC(=CC=C4)O
InChI InChI=1S/C19H19N5O4/c1-12-17(13(2)28-21-12)10-23-9-15(7-20-23)24-18(26)11-22(19(24)27)8-14-4-3-5-16(25)6-14/h3-7,9,25H,8,10-11H2,1-2H3 Key:LLJBKECMPVCSDS-UHFFFAOYSA-N