2,5-Anhydro-6-{[(3-chlorophenyl)carbamoyl]amino}-4,6-dideoxy-4-{methyl[2-(2-pyridinyl)ethyl]amino}-D-galactitol

enlarge

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

ID: Reference11050

Other Names: D-Galactitol, 2,5-anhydro-6-[[[(3-chlorophenyl)amino]carbonyl]amino]-4,6-dideoxy-4-[methyl[2-(2-pyridinyl)ethyl]amino]-;
NAT27-401686

Formula: C21H27ClN4O4

Spectral Data

2,5-Anhydro-6-{[(3-chlorophenyl)carbamoyl]amino}-4,6-dideoxy-4-{methyl[2-(2-pyridinyl)ethyl]amino}-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 2125
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 11/19/2021 12:25:13 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C21H27ClN4O4/c1-26(10-8-15-6-2-3-9-23-15)19-17(30-18(13-27)20(19)28)12-24-21(29)25-16-7-4-5-14(22)11-16/h2-7,9,11,17-20,27-28H,8,10,12-13H2,1H3,(H2,24,25,29)/t17-,18+,19+,20-/m1/s1
InChI Key QDOBHIQBNNACQA-FUMNGEBKSA-N
Canonical SMILES CN(CCC1=CC=CC=N1)C2C(OC(C2O)CO)CNC(=O)NC3=CC(=CC=C3)Cl
CAS
Splash
Other Names D-Galactitol, 2,5-anhydro-6-[[[(3-chlorophenyl)amino]carbonyl]amino]-4,6-dideoxy-4-[methyl[2-(2-pyridinyl)ethyl]amino]-;
NAT27-401686

In Other Databases

PubChem 28962283
ChemSpider 22807424