Home/Compounds/Pharmaceutical Intermediate/2-{3-(1-Cyanoethyl)-5-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}-2-methylpropanenitrile
C16H17N5
279.34 g/mol
Pharmaceutical IntermediateDanger
2-[3-(1-cyanoethyl)-5-[(1H-1,2,4-triazol-1-yl)methyl]phenyl]-2-methylpropanenitrile
CAS1215780-15-6EC680-789-1
Category
Pharmaceutical Intermediate
Compound Class
Heterocycle
Primary Use
Pharmaceutical Intermediate
This compound is a chemical reference standard used for the identification and quantification of an impurity in anastrozole. It is structurally characterized by a central benzene ring with cyanoalkyl and triazole substituents.
Pharmaceutical impurity reference standard for anastrozoleResearch compound for analytical method development
Content scope: Information here supports chemical identification and industrial supply, research, and manufacturing contexts. It is not a therapeutic claim, medical advice, or drug-use instructions.
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Related Compounds
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Referencesame scaffold
4-(1H-1,2,4-Triazol-1-ylmethyl)benzonitrile
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Referencesame scaffold
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Safety Reference
Danger
H301Toxic if swallowed
H331Toxic if inhaled
H351Suspected of causing cancer
H360May damage fertility or the unborn child
H362May cause harm to breast-fed children
H372Causes damage to organs through prolonged or repeated exposure
H410Very toxic to aquatic life with long lasting effects
Identifiers
IUPAC Name
2-[3-(1-cyanoethyl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methylpropanenitrile
InChIKey
LXXANTDQIIXQBZ-UHFFFAOYSA-N
SMILES
CC(C#N)C1=CC(=CC(=C1)CN2C=NC=N2)C(C)(C)C#N
Synonyms (15)
- 1,3-Benzenediacetonitrile, alpha1,alpha1,alpha3-trimethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-; alpha1,alpha1,alpha3-Trimethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-1,3-benzenediacetonitrile; Anastrozole EP Impurity A
- Anastrozole EP Impurity A
- Anastrozole Impurity B
- Anastrozole impurity A
- Desmethyl anastrozole
- a-Desmethyl Anastrozole(>90%)
- alpha-Desmethyl Anastrozole
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