Anastrozole (120511-73-1),Anastrozole (120511-73-1) Manufacturers & Suppliers,Synthesis,MSDS

Basic information

Name:
Anastrozole
CAS No.:
120511-73-1
Molecular Structure:
Formula:
C₁₇H₁₉N₅
Molecular Weight:
293.37 .
Synonyms:
10-Methoxy-5H-dibenz[b,f]azepine-5-carbonylchloride;1,3-Benzenediacetonitrile,a,a,a',a'-tetramethyl-5-(1H-1,2,4-triazol-1-ylmethyl)- (9CI);2,2'-[5-(1H-1,2,4-triazol-1-ylmethyl)-1,3-phenylene]di(2-methylpropionitrile);2-[3-(2-Cyano-2-propyl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methylpropiononitrile;Asiolex;Anastrol;
Density:
1.08 g/cm³
Melting Point:
81 - 82 ºC
Boiling Point:
469.7 ºC at 760 mmHg
Flash Point:
237.9 ºC
Appearance:
crystalline solid
Hazard Symbols:
Xi
Risk Codes:
36/37/38
Safety Description:
26-37/39 Details

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Chemistry

IUPAC Name: 2-[3-(2-Cyanopropan-2-yl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methylpropanenitrile
Molecular Formula: C₁₇H₁₉N₅
Molecular Weight: 293.37 g/mol
Canonical SMILES: CC(C)(C#N)C1=CC(=CC(=C1)CN2C=NC=N2)C(C)(C)C#N
InChI: InChI=1/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,8H2,1-4H3
Classification Code: Antineoplastic; Antineoplastic Agents; Antineoplastic agents, hormonal; Aromatase Inhibitors; Drug / Therapeutic Agent; Enzyme inhibitors
Product Categories: Active Pharmaceutical Ingredients; Antineoplastic; All Inhibitors; anti-neoplastic;Inhibitors; Intermediates & Fine Chemicals;Pharmaceuticals; Anastrozole
XLogP3: 2.1
H-Bond Acceptor: 4
Rotatable Bond Count: 4
Exact Mass: 293.164046
MonoIsotopic Mass: 293.164046
Topological Polar Surface Area: 78.3
Heavy Atom Count: 22
Complexity: 456
Melting Point: 81-82 °C
Index of Refraction: 1.58
Molar Refractivity: 90.01 cm³
Molar Volume: 270.2 cm³
Polarizability: 35.68×10^-24 cm³
Surface Tension: 42.1 dyne/cm
Density: 1.08 g/cm³
Flash Point: 237.9 °C
Enthalpy of Vaporization: 73.21 kJ/mol
Boiling Point: 469.7 °C at 760 mmHg
Vapour Pressure of Anastrozole (CAS NO.120511-73-1): 5.38E-09 mmHg at 25 °C

Uses

Anastrozole (CAS NO.120511-73-1) is a drug used to treat breast cancer after surgery and for metastases in post-menopausal women. Anastrozole is an aromatase inhibitor, it used as an antineoplastic.

Safety Profile

Hazard Codes: Irritant Xi
Risk Statements: 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S37/39: Wear suitable gloves and eye/face protection.
HazardClass: 6.1(b)
PackingGroup of Anastrozole (CAS NO.120511-73-1): III

Specification

Anastrozole (CAS NO.120511-73-1), its Synonyms are Arimidex ; Asiolex ; 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)- . It is crystalline solid.