Anastrozole
Properties
- Molecular formula
- C17H19N5
- Molar mass
- 293.37 g/mol
- Exact mass
- 293.1640 Da
- Melting point
- 81–82 °C
- Water solubility
- 500 mg/L (25 °C)
- logP
- 2.93Crippen estimate
- Polar surface area
- 78.3 Ų
- H-bond donors / acceptors
- 0 / 4
- Rotatable bonds
- 4
Hazards
Danger
- H301 Toxic if swallowed38.7% of notifiers
- H302 Harmful if swallowed60% of notifiers
- H351 Suspected of causing cancer41.3% of notifiers
- H360 May damage fertility or the unborn child92% of notifiers
Aggregated from 75 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P264, P270, P280, P301+P316, P301+P317, P318, P321, P330, P405, P501
Identifiers
CAS number
120511-73-1SMILES
CC(C)(C#N)c1cc(Cn2cncn2)cc(C(C)(C)C#N)c1InChIKey
YBBLVLTVTVSKRW-UHFFFAOYSA-NInChI
InChI=1S/C17H19N5/c1-16(2,9-18)14-5-13(8-22-12-20-11-21-22)6-15(7-14)17(3,4)10-19/h5-7,11-12H,8H2,1-4H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
12 names
- 1,3-Benzenediacetonitrile, α1,α1,α3,α3-tetramethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-
- 1,3-Benzenediacetonitrile, α,α,α′,α′-tetramethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-
- α1,α1,α3,α3-Tetramethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-1,3-benzenediacetonitrile
- ZD 1033
- Arimidex
- ICI-D 1033
- Anastrol
- 2-[3-(2-Cyano-2-propyl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methylpropiononitrile
- 2,2′-[5-(1H-1,2,4-Triazol-1-ylmethyl)-1,3-phenylene]di(2-methylpropionitrile)
- Anastrazole
- 2-[3-(2-Cyanopropan-2-yl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methylpropanenitrile
- 2-[3-(1-Cyano-1-methylethyl)-5-[(1H-1,2,4-triazol-1-yl)methyl]phenyl]-2-methylpropanenitrile
Work with Anastrozole
Similar compounds
2,2'-(5-Bromomethyl-1,3-phenylene)di(2-methylpropiononitrile)120511-84-450 % similar
4-(1H-1,2,4-Triazol-1-ylmethyl)benzonitrile112809-25-347 % similar
Anastrozole 5-methyl analog120511-72-044 % similar
1-(4-Aminobenzyl)-1,2,4-triazole119192-10-840 % similar
Myclobutanil88671-89-038 % similar
1-[(4-Hydrazinylphenyl)methyl]-1H-1,2,4-triazole hydrochloride (1:2)212248-62-936 % similar
Rizatriptan144034-80-036 % similar
1-(4-Nitrobenzyl)-1H-1,2,4-triazole119192-09-535 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.