1,4:3,6-Dianhydro-2-deoxy-2-{[4-(dimethylamino)benzyl]amino}-5-O-[(4-isopropylphenyl)carbamoyl]-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-(4-propan-2-ylphenyl)carbamate

ID: Reference11058

Other Names: D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-2-[[[4-(dimethylamino)phenyl]methyl]amino]-, 5-[[4-(1-methylethyl)phenyl]carbamate];
NAT6-282373

Formula: C25H33N3O4

Spectral Data

1,4:3,6-Dianhydro-2-deoxy-2-{[4-(dimethylamino)benzyl]amino}-5-O-[(4-isopropylphenyl)carbamoyl]-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 284
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 11/26/2021 8:44:18 AM
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Identificators

InChI InChI=1S/C25H33N3O4/c1-16(2)18-7-9-19(10-8-18)27-25(29)32-22-15-31-23-21(14-30-24(22)23)26-13-17-5-11-20(12-6-17)28(3)4/h5-12,16,21-24,26H,13-15H2,1-4H3,(H,27,29)/t21-,22+,23+,24+/m0/s1
InChI Key WKEYOIFMHKEGNJ-OLKYXYMISA-N
Canonical SMILES CC(C)C1=CC=C(C=C1)NC(=O)OC2COC3C2OCC3NCC4=CC=C(C=C4)N(C)C
CAS
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Other Names D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-2-[[[4-(dimethylamino)phenyl]methyl]amino]-, 5-[[4-(1-methylethyl)phenyl]carbamate];
NAT6-282373

In Other Databases

ChemSpider 10041781
PubChem 11867448