Compound: Tritoqualine
SMILES: O=C1OC(C2N(CCc3c2c(OC)c4OCOc4c3)C)c5c1c(N)c(OCC)c(OCC)c5OCC
InChIKey: IRGJVQIJENCTQF-UHFFFAOYSA-N
Synonyms: Tritoqualine, Hypostamine, Inhibostamin, 14504-73-5, Hypostamin, Livalfa, Tritocualina, tritocaline, Tritoqualinum, MCI-5011, 35NZ, tritoqualin, 554L, L-554, F4MW5166YH, DTXSID10864514, 7-Amino-4,5,6-triethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-1(3H)-isobenzofuranone, 7-Amino-4,5,6-triethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)phthalide, 4,5,6-triethoxy-7-amino-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)phthalide, 7-AMINO-4,5,6-TRIETHOXY-3-{4-METHOXY-6-METHYL-2H,5H,6H,7H,8H-[1,3]DIOXOLO[4,5-G]ISOQUINOLIN-5-YL}-1,3-DIHYDRO-2-BENZOFURAN-1-ONE, tritoqualina, 7-amino-4,5,6-triethoxy-3-(4-methoxy-6-methyl-2H,5H,6H,7H,8H-(1,3)dioxolo(4,5-g)isoquinolin-5-yl)-1,3-dihydro-2-benzofuran-1-one, RefChem:192205, DTXCID10813022, R06AX21, 7-amino-4,5,6-triethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)iso quinolin-5-yl)-1(3H)-isobenzofuranone, Inhibostamin;Hypostamine, Tritoqualine (INN), TRITOQUALINE [INN], 7-amino-4,5,6-triethoxy-3-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3H-2-benzofuran-1-one, Tritocualina [Spanish], Tritoqualine [INN:DCF], Tritoqualinum [INN-Latin], Tritocualina [INN-Spanish], BRN 0634993, UNII-F4MW5166YH, L 554, Hypostamine (TN), Tritoqualine (NIST), TRITOQUALINE [MI], TRITOQUALINE [JAN], SCHEMBL28974, TRITOQUALINE [MART.], 4,5,6-Triethoxy-7-amino-3-(8-methoxy-2-methyl-6,7-methylenedioxy-1,2,3,4-tetrahydro-1-isochinolinyl)phthalid, TRITOQUALINE [WHO-DD], orb1706513, CHEMBL2104445, SCHEMBL29606368, CHEBI:135802, EBC-27240, HY-U00065, AKOS040742779, CS-6602, DB13711, 1(3H)-Isobenzofuranone, 7-amino-4,5,6-triethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-, 7-amino-4,5,6-triethoxy-3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)isobenzofuran-1(3H)-one, DA-58755, TRQ, NS00003394, D07405, EN300-19766591, Q3539707, 7-Amino-4,5,6-triethoxy-3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-2H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-2-benzofuran-1(3H)-one, Tritoqualine; 1(3H)-Isobenzofuranone, 7-amino-4,5,6-triethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)-; Phthalide, 7-amino-4,5,6-triethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)- (7CI,8CI); 1,3-
Theoretical properties:
molecular_formula: C26H32N2O8
molecular_weight: 500.5 g/mol
exact_mass: 500.21586598 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 10
rotatable_bond_count: 8
heavy_atom_count: 36
topological_polar_surface_area: 111 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Tritoqualine is a member of isoquinolines.
chembl: TRITOQUALINE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: Tritoqualine, also known as hypostamine, is an inhibitor of the enzyme histidine decarboxylase and therefore an atypical antihistamine, used for the treatment of urticaria and allergic rhinitis with no known adverse effects.