Etrinabdione

Etrinabdione
Identifiers
	IUPAC name 5-(benzylamino)-4-hydroxy-3-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-pentylcyclohexa-3,5-diene-1,2-dione;
CAS Number	1818428-24-8 ;
PubChem CID	118465221;
DrugBank	DB18008;
ChemSpider	129767891;
UNII	KTJCIKNF3F;
ChEMBL	ChEMBL5095098;
Chemical and physical data
Formula	C28H35NO3
Molar mass	433.592 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES CCCCCC1=C(C(=C(C(=O)C1=O)[C@@H]2C=C(CC[C@H]2C(=C)C)C)O)NCC3=CC=CC=C3;
	InChI InChI=1S/C28H35NO3/c1-5-6-8-13-22-25(29-17-20-11-9-7-10-12-20)27(31)24(28(32)26(22)30)23-16-19(4)14-15-21(23)18(2)3/h7,9-12,16,21,23,29,31H,2,5-6,8,13-15,17H2,1,3-4H3/t21-,23+/m0/s1; Key:CGGGAXJIRQSRPH-JTHBVZDNSA-N;

Etrinabdione (VCE-004.8, EHP-101) is a drug structurally related to cannabidiol and HU-331 which has potent antiinflammatory and neuroprotective effects. It acts as a dual agonist of CB₂ and PPARγ and is in clinical trials for the treatment of scleroderma.^[1]^[2]^[3]^[4]^[5]^[6]^[7]^[8]^[9]

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Identifiers

IUPAC name 5-(benzylamino)-4-hydroxy-3-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-pentylcyclohexa-3,5-diene-1,2-dione
CAS Number	1818428-24-8^Y
PubChem CID	118465221
DrugBank	DB18008
ChemSpider	129767891
UNII	KTJCIKNF3F
ChEMBL	ChEMBL5095098
Chemical and physical data
Formula	C₂₈H₃₅NO₃
Molar mass	433.592 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES CCCCCC1=C(C(=C(C(=O)C1=O)[C@@H]2C=C(CC[C@H]2C(=C)C)C)O)NCC3=CC=CC=C3
InChI InChI=1S/C28H35NO3/c1-5-6-8-13-22-25(29-17-20-11-9-7-10-12-20)27(31)24(28(32)26(22)30)23-16-19(4)14-15-21(23)18(2)3/h7,9-12,16,21,23,29,31H,2,5-6,8,13-15,17H2,1,3-4H3/t21-,23+/m0/s1 Key:CGGGAXJIRQSRPH-JTHBVZDNSA-N