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Letrozole

CAT: 0957-S1235-02Size: 100 mgDry Ice: YesHazardous: No
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CAT#:0957-S1235-02Size:100 mg
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Description
Letrozole is a third generation inhibitor of aromatase with IC50 of 0.07-20 nM in cell-free assays.It has no effect on the plasma levels of 17α-OH progesterone, thyroid-stimulating hormone (TSH), luteinizing hormone (LH), follicle-stimulating hormone (FSH), or androstenedione and does not affect normal urine electrolyte excretion or thyroid function in clinical studies. Letrozole induces autophagy.
CAS Number
112809-51-5
Synonyms
CGS 20267
Target
Aromatase
Activity
Endocrinology & Hormones
Molecular Formula
C17H11N5
Storage Conditions
2 years -80 in solvent

Chemical Information

Letrozole

Letrozole is a nitrile and a member of triazoles. It has a role as an antineoplastic agent and an EC 1.14.14.14 (aromatase) inhibitor.

CAS Number112809-51-5
PubChem CID3902
IUPAC Name4-[(4-cyanophenyl)-(1,2,4-triazol-1-yl)methyl]benzonitrile
Molecular FormulaC17H11N5
Molecular Weight285.30
XLogP2.7
Topological Polar Surface Area78.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity420
SMILES
C1=CC(=CC=C1C#N)C(C2=CC=C(C=C2)C#N)N3C=NC=N3
InChI
InChI=1S/C17H11N5/c18-9-13-1-5-15(6-2-13)17(22-12-20-11-21-22)16-7-3-14(10-19)4-8-16/h1-8,11-12,17H
InChIKey
HPJKCIUCZWXJDR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Letrozole
CAS: 112809-51-5
CID: 3902
Formula: C17H11N5
MW: 285.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight285.30
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass285.10144537
Monoisotopic Mass285.10144537
Topological Polar Surface Area78.3 Ų
Heavy Atom Count22
Formal Charge0
Complexity420
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

Alternative Products

CatalogName
A1307-5.1Letrozole

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