Compound: letrozole
SMILES: N#Cc1ccc(C(n2ncnc2)c3ccc(C#N)cc3)cc1
InChIKey: HPJKCIUCZWXJDR-UHFFFAOYSA-N
Synonyms: letrozole, 112809-51-5, Femara, Letrozol, CGS 20267, CGS-20267, Benzonitrile, 4,4'-(1H-1,2,4-triazol-1-ylmethylene)bis-, 4-[(4-cyanophenyl)-(1,2,4-triazol-1-yl)methyl]benzonitrile, 4,4'-(1H-1,2,4-Triazol-1-ylmethylene)dibenzonitrile, DTXSID4023202, CGS20267, NSC-759652, 7LKK855W8I, 4-[(4-CYANOPHENYL)(1H-1,2,4-TRIAZOL-1-YL)METHYL]BENZONITRILE, CHEBI:6413, DTXCID503202, NSC719345, KISQALI FEMARA CO-PACK COMPONENT LETROZOLE, letrozolum, 4-((4-cyanophenyl)-(1,2,4-triazol-1-yl)methyl)benzonitrile, 4-((4-cyanophenyl)(1H-1,2,4-triazol-1-yl)methyl)benzonitrile, Letrozole Tablets, 4,4'-(1H-1,2,4-triazol-1-yl-methylene)-bis(benzonitrile), RefChem:55460, L02BG04, 4,4'-(1H-1,2,4triazol-1-ylmethylene)dibenzonitrile, 675-034-8, 4,4'-((1h-1,2,4-triazol-1-yl)methylene)dibenzonitrile, C17H11N5, 4,4'-(1h-1,2,4-triazol-1-ylmethylene)bisbenzonitrile, 4,4'-(1H-1,2,4-triazol-1-ylmethanediyl)dibenzonitrile, 1-[bis(4-cyanophenyl)methyl]-1,2,4-triazole, CHEMBL1444, MFCD00866241, NCGC00016973-01, Letoval, CAS-112809-51-5, SMR000466343, Femara (TN), LETRAZOLE, HSDB 7461, SR-01000759382, 4,4'-[(1H-1,2,4-Triazol-1-yl)methylene]dibenzonitrile, Letrozole (JAN/USP/INN), UNII-7LKK855W8I, 4,4'-(1h-1,2,4-triazol-1-ylmethylene)bis-benzonitrile, CCRIS 8822, Letrozole?, Letrozole CRS, FEM-345, Femara, Letrozole, Letrozole [USAN:USP:INN:BAN], Letrozole (Standard), 4,4'-(1h-1,2,4-triazol-1-ylmethylene) bis-benzonitrile, LETROZOLE [INN], LETROZOLE [JAN], LETROZOLE [MI], LETROZOLE [HSDB], LETROZOLE [USAN], Prestwick0_001025, Prestwick1_001025, Prestwick2_001025, Prestwick3_001025, Femara (TN) (Novartis), LETROZOLE [MART.], LETROZOLE [USP-RS], LETROZOLE [WHO-DD], SCHEMBL4331, 1-[Bis-(4-cyanophenyl)methyl]-1,2,4-triazole, BIDD:PXR0130, BSPBio_001209, MLS000759455, MLS001424038, MLS002584991, MLS006010040, BIDD:GT0015, Letrozole - Bio-X trade mark, SPBio_003070, BPBio1_001331, GTPL5209, orb1308084, LETROZOLE [EP IMPURITY], LETROZOLE [ORANGE BOOK], LETROZOLE [EP MONOGRAPH], Letrozole, >=98% (HPLC), BDBM13061, EX-A965, LETROZOLE [USP MONOGRAPH], GLXC-05072, HMS1571M11, HMS2051E08, HMS2089L22, HMS2098M11, HMS2233C23, HMS3369E11, HMS3393E08, HMS3651K05, HMS3715M11, HMS5079O19, Pharmakon1600-01502354, IVB71296, MSK10362, Tox21_110719, Tox21_303572, EBC-04408, HY-14248R, NSC759652, s1235, STL451047, AKOS005145822, AB07525, AC-1193, CCG-100849, CS-1776, DB01006, FL24873, KS-1269, NC00099, NSC 759652, NSC-719345, NCGC00016973-02, NCGC00016973-03, NCGC00016973-06, NCGC00257460-01, BL164620, HY-14248, 1-Bis(4-cyanophenyl)methyl-1,2,4-triazole, 4,2,4-Triazol-1-ylmethylene)dibenzonitrile, AB00514009, L0248, NS00000663, SW197294-4, C08163, D00964, EN300-264820, AB00514009-05, AB00514009-07, AB00514009-08, AB00514009-09, AB00514009_10, AB00514009_11, F036495, Q194974, W-60273, 4,4'-(1,2,4-Triazol-1-ylmethylene)dibenzonitrile, Q-201291, SR-01000759382-4, SR-01000759382-5, BRD-K88789588-001-03-2, BRD-K88789588-001-14-9, 4,4 -(1H-1,2,4-triazol-1-ylmethanediyl)dibenzonitrile, F2173-0288, Z1741968261, 4,4'-((1H-1,2,4-Triazol-1-yl)-methylene)dibenzonitrile, 4,4'-(1H-1,2,4-Triazol-1-ylmethylene)bis[benzonitrile], Letrozole, European Pharmacopoeia (EP) Reference Standard, Letrozole, United States Pharmacopeia (USP) Reference Standard, 4-[1-(4-CYANOPHENYL)-1-(1,2,4-TRIAZOL-1-YL)METHYL]BENZONITRILE, Letrozole, Pharmaceutical Secondary Standard; Certified Reference Material, CGS 20267; Femara; Lerozole; Letrazole; 4,4'-((1H-1,2,4-triazol-1-yl)methylene)dibenzonitrile
Theoretical properties:
molecular_formula: C17H11N5
molecular_weight: 285.30 g/mol
exact_mass: 285.10144537 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 3
heavy_atom_count: 22
topological_polar_surface_area: 78.3 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: White to yellowish crystalline powder
color: White to yellowish crystalline powder
odor: Practically odorless
melting_point: 184-185 °C
solubility: Freely soluble in dichloromethane; slightly soluble in ethanol; practically insoluble in water
Descriptions:
pubchem: Letrozole is a nitrile and a member of triazoles. It has a role as an antineoplastic agent and an EC 1.14.14.14 (aromatase) inhibitor.
chembl: LETROZOLE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: Letrozole, sold under the brand name Femara among others, is an aromatase inhibitor medication that is used in the treatment of breast cancer for post-menopausal women.
It was patented in 1986 and approved for medical use in 1996. In 2021, it was the 222nd most commonly prescribed medication in the United States, with more than 1 million prescriptions. It is on the World Health Organization's List of Essential Medicines.