Compound: Myosmine
SMILES: n1cc(C2=NCCC2)ccc1
InChIKey: DPNGWXJMIILTBS-UHFFFAOYSA-N
Synonyms: Myosmine, 532-12-7, 3-(3,4-Dihydro-2H-pyrrol-5-yl)pyridine, 3-(1-Pyrrolin-2-yl)pyridine, 2-(3-Pyridyl)-1-pyrroline, Pyridine, 3-(3,4-dihydro-2H-pyrrol-5-yl)-, DTXSID70891866, 9O0A545W4L, CHEBI:7051, RefChem:160358, DTXCID001009059, 637-297-7, MFCD00052019, Miosmine, 3-(1-PYRROLIN-2-YL)-PYRIDINE, 3-(4,5-Dihydro-3H-pyrrol-2-yl)-pyridine, CHEMBL423429, 3-(2-Pyrrolin-2-yl)pyridine, Pyridine, 3-(1-pyrrolin-2-yl)-, s3311, 3-(4,5-Dihydro-3H-pyrrol-2-yl)pyridine (Myosmine), Nicotine EP Impurity D, UNII-9O0A545W4L, CCRIS 9356, Prestwick_202, Myosmine (Standard), Myosmine, 98%, BRN 0119254, Spectrum_001130, SpecPlus_000615, Prestwick0_000647, Prestwick1_000647, Prestwick2_000647, Prestwick3_000647, BSPBio_000653, KBioSS_001610, 5-23-06-00466 (Beilstein Handbook Reference), DivK1c_006711, SPBio_002574, BPBio1_000719, orb1299607, SCHEMBL5319476, SCHEMBL5654756, SCHEMBL29398376, KBio1_001655, KBio2_001610, KBio2_004178, KBio2_006746, US8609708, 79 Myosmine, HMS1570A15, HMS2097A15, HMS5086K14, HY-W001909R, MSK14015, BBL100560, BDBM50125053, STL554354, 3-(1-Pyrrolin-2-yl)pyridine, 8CI, AKOS005254654, CCG-214475, CS-W001909, FM26110, HY-W001909, NCGC00016493-01, NCGC00016493-02, NCGC00163359-01, AC-35719, CAS-532-12-7, DA-75828, MS-20037, NICOTINE IMPURITY D [EP IMPURITY], SY076072, 3-(3,4-Dihydro-2H-pyrrol-5-yl)-Pyridine, NS00073889, ST50824026, 3-(3,4-Dihydro-2H-pyrrol-5-yl)pyridine #, 3-(3,4-Dihydro-2H-pyrrol-5-yl)pyridine, 9CI, 3-(4,5-DIHYDRO-3H-PYRROL-2-YL)PYRIDINE, F475214, NICOTINE RESINATE IMPURITY D [EP IMPURITY], Q411486, BRD-K67556876-001-03-1, BRD-K67556876-001-04-9, NICOTINE DITARTRATE DIHYDRATE IMPURITY D [EP IMPURITY], Myosmine,Nicotine Imp. D (EP), Pyridine, 3-(3,4-dihydro-2H-pyrrol-5-yl)-, Pyridine, 3-(1-pyrrolin-2-yl)- (6CI,7CI,8CI), 2-(3-Pyridyl)-1-pyrroline, Nicotine USP RC D, Nicotine USP Related Compound D
Theoretical properties:
molecular_formula: C9H10N2
molecular_weight: 146.19 g/mol
exact_mass: 146.084398327 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 1
heavy_atom_count: 11
topological_polar_surface_area: 25.3 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
melting_point: 40.5 - 42 °C
Descriptions:
pubchem: Myosmine is a member of the class of pyridines that is pyridine substituted by a 3,4-dihydro-2H-pyrrol-5-yl group at position 3. It is an alkaloid found in tobacco plants and exhibits genotoxic effects. It has a role as a mutagen, an EC 1.14.14.14 (aromatase) inhibitor and a plant metabolite. It is a pyrroline and a pyridine alkaloid.
chebi: A member of the class of pyridines that is pyridine substituted by a 3,4-dihydro-2<em>H</em>-pyrrol-5-yl group at position 3. It is an alkaloid found in tobacco plants and exhibits genotoxic effects.
chembl: MYOSMINE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Myosmine is an alkaloid found in tobacco and other plants. Chemically, it is closely related to nicotine. It inhibits aromatase sevenfold more potently than nicotine. It also releases dopamine in adult but not adolescent rats.