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Anastrozole 10mg

CAT: 0628-A10075-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A10075-10Size:10 mg
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CAS Number
120511-73-1

Chemical Information

Anastrozole

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.

CAS Number120511-73-1
PubChem CID2187
IUPAC Name2-[3-(2-cyanopropan-2-yl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methylpropanenitrile
Molecular FormulaC17H19N5
Molecular Weight293.4
XLogP2.1
Topological Polar Surface Area78.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity456
SMILES
CC(C)(C#N)C1=CC(=CC(=C1)CN2C=NC=N2)C(C)(C)C#N
InChI
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,8H2,1-4H3
InChIKey
YBBLVLTVTVSKRW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Anastrozole
CAS: 120511-73-1
CID: 2187
Formula: C17H19N5
MW: 293.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight293.4
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass293.16404563
Monoisotopic Mass293.16404563
Topological Polar Surface Area78.3 Ų
Heavy Atom Count22
Formal Charge0
Complexity456
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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