Anastrozole
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- Concentration
- 1 mg per mL
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Molecular Formula | C17H19N5 |
Molecular Weight | 293.4 |
Monoisotopic Mass | 293.16404563 |
Polar Area | 78.3 |
Complexity | 456 |
XLogP | 2.1 |
Heavy Atom Count | 22 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 4 |
Physical Appearance | Clear Liquid |
Stability | Room Temperature |
PubChem LCSS | Anastrozole Laboratory Chemical Safety Summary |
Property | Property Value |
---|---|
CID | 2187 |
CAS | 120511-73-1 |
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 |
Canonical SMILES | CC(C)(C#N)C1=CC(=CC(=C1)CN2C=NC=N2)C(C)(C)C#N |
IUPAC Name | 2-[3-(2-cyanopropan-2-yl)-5-(1, 2, 4-triazol-1-ylmethyl)phenyl]-2-methylpropanenitrile |
Generated by Extreme Peptide with Open Babel, version 2.3.1, http://openbabel.org (accessed May 20, 2024)
Interactive 3D representation of Anastrozole (CID 2187)
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