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

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Systematic / IUPAC Name: 2-Chloro-N-[[(2R,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]oxolan-2-yl]methyl]-5-methoxybenzamide

ID: Reference10162

Other Names: D-Galactitol, 2,5-anhydro-6-[(2-chloro-5-methoxybenzoyl)amino]-4,6-dideoxy-4-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]-;
NAT27-501587

Formula: C25H29ClF3N3O5

Spectral Data

2,5-Anhydro-6-[(2-chloro-5-methoxybenzoyl)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 1
No. of Spectra 2977
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 1/7/2021 1:04:52 PM
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Identificators

InChI InChI=1S/C25H29ClF3N3O5/c1-36-17-5-6-19(26)18(12-17)24(35)30-13-20-22(23(34)21(14-33)37-20)32-9-7-31(8-10-32)16-4-2-3-15(11-16)25(27,28)29/h2-6,11-12,20-23,33-34H,7-10,13-14H2,1H3,(H,30,35)/t20-,21+,22+,23-/m1/s1
InChI Key NKRAQZCOKKPXGE-WZYRSQIMSA-N
Canonical SMILES COC1=CC(=C(C=C1)Cl)C(=O)NCC2C(C(C(O2)CO)O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F
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Other Names D-Galactitol, 2,5-anhydro-6-[(2-chloro-5-methoxybenzoyl)amino]-4,6-dideoxy-4-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]-;
NAT27-501587

In Other Databases

ChemSpider 29849292
PubChem 51136977