Letrozole

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Systematic / IUPAC Name: 4,4'-(1H-1,2,4-Triazol-1-ylmethylene)dibenzonitrile

ID: Reference3301

Other Names: BR-59607;
Femara;
Letrozol;
1-[Bis(4-cyanophenyl)methyl]-1,2,4-triazole;
4,4'-[(1H-1,2,4-Triazol-1-yl)methylene]dibenzonitrile ; more

Formula: C17H11N5

Class: Therapeutics/Prescription Drugs Sports Doping Drugs

Spectral Data

Letrozole mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Plus Orbitrap
No. of Spectral Trees 2
No. of Spectra 134
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 11/10/2015 8:29:04 AM
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Identificators

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
InChI Key HPJKCIUCZWXJDR-UHFFFAOYSA-N
Canonical SMILES C1=CC(=CC=C1C#N)C(C2=CC=C(C=C2)C#N)N3C=NC=N3
CAS 112809515
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Other Names BR-59607;
Femara;
Letrozol;
1-[Bis(4-cyanophenyl)methyl]-1,2,4-triazole;
4,4'-[(1H-1,2,4-Triazol-1-yl)methylene]dibenzonitrile ;
4,4'-(1H-1,2,4-Triazol-1-ylmethanediyl)dibenzonitrile;
4,4'-(1H-1,2,4-Triazol-1-yl-methylene)-bis(benzonitrile);
4-[(4-Cyanophenyl)-(1,2,4-triazol-1-yl)methyl]benzonitrile;
4-[(4-Cyanophenyl)(1H-1,2,4-triazol-1-yl)methyl]benzonitrile ;
4-[1-(4-Cyanophenyl)-1-(1,2,4-triazol-1-yl)methyl]benzonitrile ;
Benzonitrile, 4,4'-(1H-1,2,4-triazol-1-ylmethylene)bis-;
Letrazole

In Other Databases

ChemIDPlus 112809515
ChEBI CHEBI:6413
Wikipedia Letrozole
KEGG C08163; D00964
ChemSpider 3765
HMDb HMDB15141
PubChem 3902
DrugBank DB01006