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

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

ID: Reference9707

Other Names: D-Galactitol, 2,5-anhydro-6-[(2-chloro-5-hydroxybenzoyl)amino]-4,6-dideoxy-4-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]-;
NAT27-501586

Formula: C24H27ClF3N3O5

Spectral Data

2,5-Anhydro-6-[(2-chloro-5-hydroxybenzoyl)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.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 2
No. of Spectra 4864
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 5/22/2020 10:13:21 AM
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Identificators

InChI InChI=1S/C24H27ClF3N3O5/c25-18-5-4-16(33)11-17(18)23(35)29-12-19-21(22(34)20(13-32)36-19)31-8-6-30(7-9-31)15-3-1-2-14(10-15)24(26,27)28/h1-5,10-11,19-22,32-34H,6-9,12-13H2,(H,29,35)/t19-,20+,21+,22-/m1/s1
InChI Key XXIKGQHUGFOHCC-CLAROIROSA-N
Canonical SMILES C1CN(CCN1C2C(OC(C2O)CO)CNC(=O)C3=C(C=CC(=C3)O)Cl)C4=CC=CC(=C4)C(F)(F)F
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Other Names D-Galactitol, 2,5-anhydro-6-[(2-chloro-5-hydroxybenzoyl)amino]-4,6-dideoxy-4-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]-;
NAT27-501586

In Other Databases

PubChem 51136976
ChemSpider 29849291