2,5-Anhydro-6-{[(3-chlorophenyl)carbamoyl]amino}-4,6-dideoxy-4-[4-(4-fluorophenyl)-1-piperazinyl]-D-galactitol

enlarge

Systematic / IUPAC Name: 1-(3-Chlorophenyl)-3-[[(2R,3R,4S,5S)-3-[4-(4-fluorophenyl)piperazin-1-yl]-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]urea

ID: Reference9503

Other Names: D-Galactitol, 2,5-anhydro-6-[[[(3-chlorophenyl)amino]carbonyl]amino]-4,6-dideoxy-4-[4-(4-fluorophenyl)-1-piperazinyl]-;
NAT27-401434

Formula: C23H28ClFN4O4

Spectral Data

2,5-Anhydro-6-{[(3-chlorophenyl)carbamoyl]amino}-4,6-dideoxy-4-[4-(4-fluorophenyl)-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 1647
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 3/19/2020 6:33:23 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C23H28ClFN4O4/c24-15-2-1-3-17(12-15)27-23(32)26-13-19-21(22(31)20(14-30)33-19)29-10-8-28(9-11-29)18-6-4-16(25)5-7-18/h1-7,12,19-22,30-31H,8-11,13-14H2,(H2,26,27,32)/t19-,20+,21+,22-/m1/s1
InChI Key HFZMVDCDBSKFIN-CLAROIROSA-N
Canonical SMILES C1CN(CCN1C2C(OC(C2O)CO)CNC(=O)NC3=CC(=CC=C3)Cl)C4=CC=C(C=C4)F
CAS
Splash
Other Names D-Galactitol, 2,5-anhydro-6-[[[(3-chlorophenyl)amino]carbonyl]amino]-4,6-dideoxy-4-[4-(4-fluorophenyl)-1-piperazinyl]-;
NAT27-401434

In Other Databases

ChemSpider 22807243
PubChem 28961874