HC-030031

HC-030031
Identifiers
	IUPAC name 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-propan-2-ylphenyl)acetamide;
CAS Number	349085-38-7 ;
PubChem CID	1150897;
ChemSpider	976407;
UNII	MU78VFH9C7;
ChEMBL	ChEMBL1086310;
CompTox Dashboard (EPA)	DTXSID10360763 ;
ECHA InfoCard	100.159.785
Chemical and physical data
Formula	C18H21N5O3
Molar mass	355.398 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES CC(C)C1=CC=C(C=C1)NC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C;
	InChI InChI=1S/C18H21N5O3/c1-11(2)12-5-7-13(8-6-12)20-14(24)9-23-10-19-16-15(23)17(25)22(4)18(26)21(16)3/h5-8,10-11H,9H2,1-4H3,(H,20,24); Key:HEQDZPHDVAOBLN-UHFFFAOYSA-N;

HC-030031 is a drug which acts as a potent and selective antagonist for the TRPA1 receptor, and has analgesic and antiinflammatory effects.^[1]^[2]^[3]^[4]

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Identifiers

IUPAC name 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-propan-2-ylphenyl)acetamide
CAS Number	349085-38-7^Y
PubChem CID	1150897
ChemSpider	976407
UNII	MU78VFH9C7
ChEMBL	ChEMBL1086310
CompTox Dashboard (EPA)	DTXSID10360763
ECHA InfoCard	100.159.785
Chemical and physical data
Formula	C₁₈H₂₁N₅O₃
Molar mass	355.398 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES CC(C)C1=CC=C(C=C1)NC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C
InChI InChI=1S/C18H21N5O3/c1-11(2)12-5-7-13(8-6-12)20-14(24)9-23-10-19-16-15(23)17(25)22(4)18(26)21(16)3/h5-8,10-11H,9H2,1-4H3,(H,20,24) Key:HEQDZPHDVAOBLN-UHFFFAOYSA-N