2,5-Anhydro-4,6-dideoxy-4-(3,4-dihydro-2(1H)-isoquinolinyl)-6-{[4-(dimethylamino)benzoyl]amino}-D-galactitol

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Systematic / IUPAC Name: N-[[(2R,3R,4S,5S)-3-(3,4-Dihydro-1H-isoquinolin-2-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-4-(dimethylamino)benzamide

ID: Reference12160

Other Names: D-Galactitol, 2,5-anhydro-4,6-dideoxy-4-(3,4-dihydro-2(1H)-isoquinolinyl)-6-[[4-(dimethylamino)benzoyl]amino]-;
NAT27-401349

Formula: C24H31N3O4

Spectral Data

2,5-Anhydro-4,6-dideoxy-4-(3,4-dihydro-2(1H)-isoquinolinyl)-6-{[4-(dimethylamino)benzoyl]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 479
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 1/24/2023 9:27:52 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C24H31N3O4/c1-26(2)19-9-7-17(8-10-19)24(30)25-13-20-22(23(29)21(15-28)31-20)27-12-11-16-5-3-4-6-18(16)14-27/h3-10,20-23,28-29H,11-15H2,1-2H3,(H,25,30)/t20-,21+,22+,23-/m1/s1
InChI Key XPUGZFPCVOETRJ-WZYRSQIMSA-N
Canonical SMILES CN(C)C1=CC=C(C=C1)C(=O)NCC2C(C(C(O2)CO)O)N3CCC4=CC=CC=C4C3
CAS
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Other Names D-Galactitol, 2,5-anhydro-4,6-dideoxy-4-(3,4-dihydro-2(1H)-isoquinolinyl)-6-[[4-(dimethylamino)benzoyl]amino]-;
NAT27-401349

In Other Databases

ChemSpider 22936910
PubChem 38026613