Compound: anastrozole
SMILES: N#CC(c1cc(cc(c1)Cn2ncnc2)C(C#N)(C)C)(C)C
InChIKey: YBBLVLTVTVSKRW-UHFFFAOYSA-N
Synonyms: anastrozole, 120511-73-1, Arimidex, anastrazole, Anastrozol, ZD1033, ZD-1033, ICI D1033, ICI-D1033, ZD 1033, DTXSID9022607, 2Z07MYW1AZ, NSC-719344, NSC-759855, alpha,alpha,alpha',alpha'-Tetramethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-m-benzenediacetonitrile, Rvg-106400, NSC719344, CHEBI:2704, DTXCID202607, 1,3-Benzenediacetonitrile, alpha,alpha,alpha',alpha'-tetramethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-, Zeneca ZD 1033, 2-[3-(1-cyano-1-methylethyl)-5-(1H-1,2,4-triazol-1-ylmethyl)phenyl]-2-methylpropanenitrile, anastrozolum, Nastrosa, Anastrozole Tablets, 2-(3-(1-Cyano-1-methylethyl)-5-(1H-1,2,4-triazol-1-ylmethyl)phenyl)-2-methylpropanenitrile, 2,2'-(5-(1H-1,2,4-triazol-1-ylmethyl)-1,3-phenylene)bis(2-methylpropionitrile), RefChem:54202, L02BG03, 2,2'-(5-(1H-1,2,4-Triazol-1-ylmethyl)-1,3-phenylene)di(2-methylpropionitrile), Alpha,alpha,alpha', alpha'-tetramethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-1,3-benzenediacetonitrile, 2,2'-(5-((1H-1,2,4-triazol-1-yl)methyl)-1,3-phenylene)bis(2-methylpropanenitrile), MFCD00866298, CHEMBL1399, 2,2'-[5-(1H-1,2,4-triazol-1-ylmethyl)benzene-1,3-diyl]bis(2-methylpropanenitrile), NCGC00164619-01, Asiolex, alpha1,alpha1,alpha3,alpha3-Tetramethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-1,3-benzenediacetonitrile, Arimidex (TN), 1,3-Benzenediacetonitrile, alpha1,alpha1,alpha3,alpha3-tetramethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-, SMR000466301, CAS-120511-73-1, HSDB 7462, ICI-D 1033, SR-01000759390, UNII-2Z07MYW1AZ, Anastrozole?, 2-[3-(2-cyanopropan-2-yl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methylpropanenitrile, CCRIS 9352, Anastrozole CRS, 2,2'-{5-[(1H-1,2,4-Triazol-1-yl)methyl]-1,3-phenylene}bis(2-methylpropanenitrile), Anastrozole [USAN:USP:INN:BAN], Anastrozole; 2,2'-[5-(1H-1,2,4-Triazol-1-ylmethyl)benzene-1,3-diyl]bis(2-methylpropanenitrile), Anastrozole (Standard), Arimidex (AstraZeneca), ANASTROZOLE [MI], ANASTROZOLE [INN], ANASTROZOLE [JAN], ANASTROZOLE [HSDB], ANASTROZOLE [USAN], SCHEMBL9726, ANASTROZOLE [MART.], ANASTROZOLE [USP-RS], ANASTROZOLE [WHO-DD], MLS000759396, MLS001424217, MLS006011961, GTPL5137, orb1310655, Anastrozole (JP18/USP/INN), Anastrozole - Bio-X trade mark, BDBM10015, ANASTROZOLE [ORANGE BOOK], ANASTROZOLE [EP MONOGRAPH], ANASTROZOLE [USP IMPURITY], GLXC-03925, HMS2052M11, HMS2089N10, HMS2235M06, HMS3369K05, HMS3394M11, HMS3654I18, HMS3715B05, HMS3742O21, HMS3866K03, HMS5079E13, Pharmakon1600-01502278, ANASTROZOLE [USP MONOGRAPH], ALBB-037397, VEA51232, Tox21_112238, Tox21_303568, EBC-06099, HY-14274R, NSC759855, s1188, STL451008, AKOS015894980, tetramethyl-5-(1h-1,2,4-triazol-1ylmethyl) 1,3-benzenediacetionitrile, Tox21_112238_1, AC-4234, CCG-101109, CS-0716, DB01217, FT10600, KS-5052, NC00359, NSC 719344, NSC 759855, SB17304, 2,2'-[5-(1H-1,2,4-triazol-1-ylmethyl)-1,3-phenylene]bis(2-methylpropanenitrile), 2-[3-(1-cyano-1-methyl-ethyl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methyl-propanenitrile, NCGC00164619-02, NCGC00164619-04, NCGC00257356-01, 2-[3-(1-cyano-1-methylethyl)-5-[(1H-1,2,4-triazol-1-yl)methyl]phenyl]-2-methylpropanenitrile, BT164176, HY-14274, A2370, NS00005588, SW197739-4, T0393, C08159, D00960, EN300-118709, AB00639929-06, AB00639929-08, AB00639929-09, AB00639929-10, AB00639929_11, AB00639929_13, Q419143, 2;2"-[5-(1H-1;2;4-Triazol-1-ylmethyl)-1, SR-01000759390-4, SR-01000759390-5, BRD-K52172416-001-10-6, BRD-K52172416-001-11-4, Z1515385077, 1,.alpha.,alpha.,alpha.',.alpha.'-tetramethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-, 2,2'-[5-(1H-1,2,4-triazol-1-yl-methyl)-1,3-phenylene]-di(2-methyl propionitrile), 2,2'-[5-(1H-1,2,4-triazol-1-ylmethyl)-1,3-phenylene]di(2-methylpropiononitrile), 2,2'-[5-(1H-1,2,4-triazole-1-yl-methyl)-1,3-phenylene]di(2-methyl propionitrile), 2-[3-(2-cyano-2-propyl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methylpropiononitrile, 2-[3-(2-cyanopropan-2-yl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methyl-propanenitrile, .alpha.,.alpha.',.alpha.'-tetramethyl-5(1H-1,2,4-triazol-1-ylmethyl)-m-benzenediacetonitrile, .ALPHA.,.ALPHA.,.ALPHA.',.ALPHA.'-TETRAMETHYL-5-(1H-1,2,4-TRIAZOL-1-YLMETHYL)-M-BENZENEDIACETONITRILE, 1,3-BENZENEDIACETONITRILE,.ALPHA.,.ALPHA.,.ALPHA.',.ALPHA.'-TETRAMETHYL-5-(1H-1,2,4-TRIAZOL-1-YLMETHYL)-, alpha,alpha,alpha',alpha'-Tetramethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-1,3-benzenediacetonitrile, Anastrazole; Anastrol; Arimidex; ICI-D 1033; ZD 1033; 2-[3-(2-Cyano-2-propyl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methylpropiononitrile
Theoretical properties:
molecular_formula: C17H19N5
molecular_weight: 293.4 g/mol
exact_mass: 293.16404563 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 4
heavy_atom_count: 22
topological_polar_surface_area: 78.3 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Crystals from ethyl acetate/cyclohexane
color: Crystals from ethyl acetate/cyclohexane
melting_point: 81-82 °C
Descriptions:
pubchem: Anastrozole is a 1,2,4-triazole compound having a 3,5-bis(2-cyano-2-propyl)benzyl group at the 1-position. It has a role as an antineoplastic agent and an EC 1.14.14.14 (aromatase) inhibitor. It is a nitrile and a member of triazoles.
chebi: A 1,2,4-triazole compound having a 3,5-bis(2-cyano-2-propyl)benzyl group at the 1-position.
chembl: ANASTROZOLE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: Anastrozole, sold under the brand name Arimidex among others, is an antiestrogenic medication used in addition to other treatments for breast cancer. Specifically it is used for hormone receptor-positive breast cancer. It has also been used to prevent breast cancer in those at high risk. It is taken orally.
Common side effects of anastrozole include hot flashes, altered mood, joint pain, and nausea. Severe side effects include an increased risk of heart disease and osteoporosis. Use during pregnancy may harm the fetus. Anastrozole is in the aromatase-inhibiting family of medications.  It works by blocking the production of estrogens in the body, and hence has antiestrogenic effects.
Anastrozole was patented in 1987 and was approved for medical use in 1995. It is on the World Health Organization's List of Essential Medicines. Anastrozole is available as a generic medication. In 2023, it was the 194th most commonly prescribed medication in the United States, with more than 2 million prescriptions.