1,4:3,6-Dianhydro-2,5-dideoxy-2-{5-[3-(dimethylamino)phenoxy]-1H-tetrazol-1-yl}-5-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)-L-iditol

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Systematic / IUPAC Name: 1-[(3S,3aR,6S,6aR)-6-[5-[3-(Dimethylamino)phenoxy]tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-[3-(trifluoromethyl)phenyl]urea

ID: Reference12020

Other Names: L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-[5-[3-(dimethylamino)phenoxy]-1H-tetrazol-1-yl]-5-[[[[3-(trifluoromethyl)phenyl]amino]carbonyl]amino]-;
NAT6-298296

Formula: C23H24F3N7O4

Spectral Data

1,4:3,6-Dianhydro-2,5-dideoxy-2-{5-[3-(dimethylamino)phenoxy]-1H-tetrazol-1-yl}-5-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)-L-iditol 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 2585
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 12/2/2022 9:12:16 AM
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Identificators

InChI InChI=1S/C23H24F3N7O4/c1-32(2)15-7-4-8-16(10-15)37-22-29-30-31-33(22)18-12-36-19-17(11-35-20(18)19)28-21(34)27-14-6-3-5-13(9-14)23(24,25)26/h3-10,17-20H,11-12H2,1-2H3,(H2,27,28,34)/t17-,18-,19+,20+/m0/s1
InChI Key PDXAMRKWLRTOEO-VNTMZGSJSA-N
Canonical SMILES CN(C)C1=CC(=CC=C1)OC2=NN=NN2C3COC4C3OCC4NC(=O)NC5=CC=CC(=C5)C(F)(F)F
CAS
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Other Names L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-[5-[3-(dimethylamino)phenoxy]-1H-tetrazol-1-yl]-5-[[[[3-(trifluoromethyl)phenyl]amino]carbonyl]amino]-;
NAT6-298296

In Other Databases

PubChem 11879569
ChemSpider 10053897