Besonprodil

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Systematic / IUPAC Name: 6-({2-[4-(4-Fluorobenzyl)-1-piperidinyl]ethyl}sulfinyl)-1,3-benzoxazol-2(3H)-one

ID: Reference3136

Other Names: 2(3H)-Benzoxazolone,6-[(2{[4-[(4-fluorophenyl)methyl]-1-piperidinyl}ethyl)sulfinyl]- ;
6-{2-[4-(4-Fluorobenzyl)-piperidin-1-yl]-ethanesulfinyl}-3H-benzoxazol-2-one ;
6-(2-{4-[(4-Fluorophenyl)methyl]piperidin-1-yl}ethylsulfinyl)-3H-1,3-benzoxazol-2-one

Formula: C21H23FN2O3S

Class: Therapeutics/Prescription Drugs

Spectral Data

Besonprodil 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 Orbitrap
No. of Spectral Trees 2
No. of Spectra 238
Tandem Spectra MS1, MS2
Ionization Methods ESI; APCI
Analyzers FT
Last Modification 10/20/2015 10:46:04 AM
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Identificators

InChI InChI=1S/C21H23FN2O3S/c22-17-3-1-15(2-4-17)13-16-7-9-24(10-8-16)11-12-28(26)18-5-6-19-20(14-18)27-21(25)23-19/h1-6,14,16H,7-13H2,(H,23,25)
InChI Key FCBQJNCAKZSIAH-UHFFFAOYSA-N
Canonical SMILES C1CN(CCC1CC2=CC=C(C=C2)F)CCS(=O)C3=CC4=C(C=C3)NC(=O)O4
CAS 253450098
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Other Names 2(3H)-Benzoxazolone,6-[(2{[4-[(4-fluorophenyl)methyl]-1-piperidinyl}ethyl)sulfinyl]- ;
6-{2-[4-(4-Fluorobenzyl)-piperidin-1-yl]-ethanesulfinyl}-3H-benzoxazol-2-one ;
6-(2-{4-[(4-Fluorophenyl)methyl]piperidin-1-yl}ethylsulfinyl)-3H-1,3-benzoxazol-2-one

In Other Databases

ChEMBL CHEMBL219631
KEGG D03100
Wikipedia Besonprodil
ChemSpider 137662
PubChem 156328
ChemIDPlus 253450098