2,5-Anhydro-6-[(1H-benzimidazol-5-ylcarbonyl)amino]-4,6-dideoxy-4-{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}-D-galactitol

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Systematic / IUPAC Name: N-[[(2R,3R,4S,5S)-4-Hydroxy-5-(hydroxymethyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]oxolan-2-yl]methyl]-3H-benzimidazole-5-carboxamide

ID: Reference10170

Other Names: D-Galactitol, 2,5-anhydro-6-[(1H-benzimidazol-6-ylcarbonyl)amino]-4,6-dideoxy-4-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]-;
NAT27-501590

Formula: C25H28F3N5O4

Spectral Data

2,5-Anhydro-6-[(1H-benzimidazol-5-ylcarbonyl)amino]-4,6-dideoxy-4-{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}-D-galactitol mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 2
No. of Spectra 5501
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 1/7/2021 2:42:21 PM
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Identificators

InChI InChI=1S/C25H28F3N5O4/c26-25(27,28)16-2-1-3-17(11-16)32-6-8-33(9-7-32)22-20(37-21(13-34)23(22)35)12-29-24(36)15-4-5-18-19(10-15)31-14-30-18/h1-5,10-11,14,20-23,34-35H,6-9,12-13H2,(H,29,36)(H,30,31)/t20-,21+,22+,23-/m1/s1
InChI Key WWDUNIFORAROKR-WZYRSQIMSA-N
Canonical SMILES C1CN(CCN1C2C(OC(C2O)CO)CNC(=O)C3=CC4=C(C=C3)N=CN4)C5=CC=CC(=C5)C(F)(F)F
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Other Names D-Galactitol, 2,5-anhydro-6-[(1H-benzimidazol-6-ylcarbonyl)amino]-4,6-dideoxy-4-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]-;
NAT27-501590

In Other Databases

ChemSpider 29849295
PubChem 51136980