1,4:3,6-Dianhydro-2,5-dideoxy-2-{5-[4-(dimethylamino)phenyl]-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-[4-(Dimethylamino)phenyl]tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-[3-(trifluoromethyl)phenyl]urea

ID: Reference12462

Other Names: L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-[5-[4-(dimethylamino)phenyl]-1H-tetrazol-1-yl]-5-[[[[3-(trifluoromethyl)phenyl]amino]carbonyl]amino]-;
NAT6-297324

Formula: C23H24F3N7O3

Spectral Data

1,4:3,6-Dianhydro-2,5-dideoxy-2-{5-[4-(dimethylamino)phenyl]-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.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 2477
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 4/17/2023 1:22:56 PM
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Identificators

InChI InChI=1S/C23H24F3N7O3/c1-32(2)16-8-6-13(7-9-16)21-29-30-31-33(21)18-12-36-19-17(11-35-20(18)19)28-22(34)27-15-5-3-4-14(10-15)23(24,25)26/h3-10,17-20H,11-12H2,1-2H3,(H2,27,28,34)/t17-,18-,19+,20+/m0/s1
InChI Key OGPSUJBVJZWFNB-VNTMZGSJSA-N
Canonical SMILES CN(C)C1=CC=C(C=C1)C2=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-[4-(dimethylamino)phenyl]-1H-tetrazol-1-yl]-5-[[[[3-(trifluoromethyl)phenyl]amino]carbonyl]amino]-;
NAT6-297324

In Other Databases

PubChem 11867521
ChemSpider 10041854