CAS 906813-01-2

4H-1,2,4-Triazolium, 4-amino-1-[[3,5-bis(1-cyano-1-methylethyl)phenyl]methyl]-, bromide (1:1)

Description:

4H-1,2,4-Triazolium, 4-amino-1-[[3,5-bis(1-cyano-1-methylethyl)phenyl]methyl]-, bromide (1:1), with CAS number 906813-01-2, is a chemical compound characterized by its triazolium structure, which includes a five-membered ring containing three nitrogen atoms. This compound features a bromide counterion, indicating its ionic nature. The presence of an amino group suggests potential for hydrogen bonding and reactivity, while the bulky substituent, 3,5-bis(1-cyano-1-methylethyl)phenyl, contributes to its steric properties and may influence its solubility and interaction with other molecules. The cyano groups can impart additional reactivity and polarity, making this compound of interest in various chemical applications, including organic synthesis and materials science. Its unique structure may also confer specific biological activities, making it a candidate for further research in medicinal chemistry. Overall, the combination of its triazolium core and functional groups suggests a versatile compound with potential applications in both synthetic and biological contexts.

Formula: C₁₇H₂₁BrN₆

InChI: InChI=1S/C17H21N6.BrH/c1-16(2,9-18)14-5-13(8-23-12-22(20)11-21-23)6-15(7-14)17(3,4)10-19;/h5-7,11-12H,8,20H2,1-4H3;1H/q+1;/p-1

InChI key: InChIKey=YNJKOZPKRGRYBN-UHFFFAOYSA-M

SMILES: C(C1=CC(C(C#N)(C)C)=CC(C(C#N)(C)C)=C1)N2N=C[N+](N)=C2.[Br-]

Synonyms:

• 1H-1,2,4-Triazolium, 4-amino-1-[[3,5-bis(1-cyano-1-methylethyl)phenyl]methyl]-, bromide
• 4H-1,2,4-Triazolium, 4-amino-1-[[3,5-bis(1-cyano-1-methylethyl)phenyl]methyl]-, bromide (1:1)
• AstrozoleImpurity2
• 4-amino-1-[[3,5-bis(1-cyano-1-methylethyl)phenyl]methyl]-4H-1,2,4-triazolium bromide (1:1)

4-Aminoanastrozolium Bromide

Controlled Product

CAS: 906813-01-2

Impurity Anastrozole Impurity
Applications 4-Aminoanastrozolium Bromide is an impurity of Anastrozole (A637425), which is an aromatase inhibitor and used as an antineoplastic. Anastrozole Impurity
References Plourde, P.V., et al.: Breast Cancer Res. Treat., 30, 103 (1994), Buzdar, A.U., et al.: Cancer, 79, 730 (1997)

Formula: C₁₇H₂₁N₆·Br

Color and Shape: Neat

Molecular weight: 389.293

Ref: TR-A583720