Compound: NARCEINE
SMILES: O=C(O)c1c(OC)c(OC)ccc1C(=O)Cc2c(OC)c3OCOc3cc2CCN(C)C
InChIKey: DEXMFYZAHXMZNM-UHFFFAOYSA-N
Synonyms: NARCEINE, Narcein, 131-28-2, UNII-CTT09X2F1M, EINECS 205-021-0, CTT09X2F1M, BRN 0371009, 6-[2-[6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl]acetyl]-2,3-dimethoxybenzoic acid, NARCEINE [MI], 6-((6-(2-(Dimethylamino)ethyl)-2-methoxy-3,4-(methylenedioxy)phenyl)acetyl)-o-veratric acid, NARCEINE [MART.], NARCEINE [WHO-DD], 6-[[6-[2-(Dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl]acetyl]-2,3-dimethoxybenzoic acid, DTXSID40156833, 5-19-09-00051 (Beilstein Handbook Reference), 2,3-Dimethoxy-6-((6-(2-dimethylaminoethyl)-2-methoxy-3,4-methylendioxyphenyl)acetyl)benzosaeure, NARCEINE (MART.), o-Veratric acid, 6-((6-(2-(dimethylamino)ethyl)-2-methoxy-3,4-(methylenedioxy)phenyl)acetyl)-, o-Veratric acid, 6-[[6-[2-(dimethylamino)ethyl]-2-methoxy-3,4-(methylenedioxy)phenyl]acetyl]-, 6-(2-{6-[2-(dimethylamino)ethyl]-4-methoxy-2H-1,3-benzodioxol-5-yl}acetyl)-2,3-dimethoxybenzoic acid, Benzoic acid, 6-[[6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl]acetyl]-2,3-dimethoxy-, 6-((6-(2-(DIMETHYLAMINO)ETHYL)-4-METHOXY-1,3-BENZODIOXOL-5-YL)ACETYL)-2,3-DIMETHOXYBENZOIC ACID, 6-[[6-[2-(Dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl]acetyl]-2,3-dimethoxybenzoic acid, 9CI, Benzoic acid, 6-((6-(2-(dimethylamino)ethyl)-4-methoxy-1,3-benzodioxol-5-yl)acetyl)-2,3-dimethoxy-, 6-((6-(2-(Dimethylamino)ethyl)-4-methoxy-1,3-benzodioxol-5-yl)acetyl)-2,3-dimethoxybenzoic acid, 9ci, 6-(2-(6-(2-(dimethylamino)ethyl)-4-methoxy-1,3-benzodioxol-5-yl)acetyl)-2,3-dimethoxybenzoic acid, 6-(2-(6-(2-(dimethylamino)ethyl)-4-methoxy-2H-1,3-benzodioxol-5-yl)acetyl)-2,3-dimethoxybenzoic acid, 6-(2-(6-(2-(dimethylazaniumyl)ethyl)-4-methoxy-1,3-benzodioxol-5-yl)acetyl)-2,3-dimethoxybenzoate, 6-[2-[6-[2-(dimethylazaniumyl)ethyl]-4-methoxy-1,3-benzodioxol-5-yl]acetyl]-2,3-dimethoxybenzoate, RefChem:164828, DTXCID2079324, 205-021-0, DEXMFYZAHXMZNM-UHFFFAOYSA-N, CI 15511, CHEBI:7480, C09591, SCHEMBL24919, CHEMBL486305, SCHEMBL29851225, GTPL13150, BDBM50480327, NIH 10760, AKOS022180680, BENZOIC ACID,6-[2-[6-[2-(DIMETHYLAMINO)ETHYL]-4-METHOXY-1,3-BENZODIOXOL-5-YL]ACETYL]-2,3-DIMETHOXY-, DB-042019, CS-0026319, NS00002615, G83765, Q907355, 6-((6-[2-(Dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl)acetyl)-2,3-dimethoxybenzoic acid #, 6-({6-[2-(Dimethylamino)ethyl]-4-methoxy-2H-1,3-benzodioxol-5-yl}acetyl)-2,3-dimethoxybenzoic acid, 6-(2-(6-(2-(Dimethylamino)ethyl)-4-methoxybenzo[d][1,3]dioxol-5-yl)acetyl)-2,3-dimethoxybenzoic acid, 6-[2-[6-(2-dimethylaminoethyl)-4-methoxy-1,3-benzodioxol-5-yl]acetyl]-2,3-dimethoxy-benzoic acid
Theoretical properties:
molecular_formula: C23H27NO8
molecular_weight: 445.5 g/mol
exact_mass: 445.17366682 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 9
rotatable_bond_count: 10
heavy_atom_count: 32
topological_polar_surface_area: 104 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
melting_point: 145 °C
solubility: 0.78 mg/mL at 13 °C
Descriptions:
pubchem: Narceine is a stilbenoid.
wikipedia: Narceine (also spelled narcein and narceen) is an opium alkaloid produced by the Papaver somniferum (opium poppy) plant. It is a bitter, crystalline compound with narcotic effects. It was formerly used as a substitute for morphine. Its name is derived from the Greek νάρκη (nárkē), meaning numbness, and the postfix -ine referring to an alkaloid.