1,4:3,6-Dianhydro-5-O-(cyclohexylcarbamoyl)-2-deoxy-2-{[4-(dimethylamino)benzyl]amino}-D-glucitol

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Systematic / IUPAC Name: [(3S,3aR,6R,6aS)-3-[[4-(Dimethylamino)phenyl]methylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-cyclohexylcarbamate

ID: Reference12420

Other Names: D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-2-[[[4-(dimethylamino)phenyl]methyl]amino]-, 5-(cyclohexylcarbamate);
NAT6-282203

Formula: C22H33N3O4

Spectral Data

1,4:3,6-Dianhydro-5-O-(cyclohexylcarbamoyl)-2-deoxy-2-{[4-(dimethylamino)benzyl]amino}-D-glucitol 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 1
No. of Spectra 137
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 3/31/2023 3:26:25 PM
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Identificators

InChI InChI=1S/C22H33N3O4/c1-25(2)17-10-8-15(9-11-17)12-23-18-13-27-21-19(14-28-20(18)21)29-22(26)24-16-6-4-3-5-7-16/h8-11,16,18-21,23H,3-7,12-14H2,1-2H3,(H,24,26)/t18-,19+,20+,21+/m0/s1
InChI Key LWLYZVKALKDCQU-DOIPELPJSA-N
Canonical SMILES CN(C)C1=CC=C(C=C1)CNC2COC3C2OCC3OC(=O)NC4CCCCC4
CAS
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Other Names D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-2-[[[4-(dimethylamino)phenyl]methyl]amino]-, 5-(cyclohexylcarbamate);
NAT6-282203

In Other Databases

PubChem 11867430
ChemSpider 10041763