1,4-Anhydro-2,5-dideoxy-2-[(4,4-difluorocyclohexyl)amino]-5-[(2-thienylcarbonyl)amino]-D-arabinitol

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Systematic / IUPAC Name: N-[[(2R,3S,4R)-4-[(4,4-Difluorocyclohexyl)amino]-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide

ID: Reference11499

Other Names: D-Arabinitol, 1,4-anhydro-2,5-dideoxy-2-[(4,4-difluorocyclohexyl)amino]-5-[(2-thienylcarbonyl)amino]-;
NAT19-551313

Formula: C16H22F2N2O3S

Spectral Data

1,4-Anhydro-2,5-dideoxy-2-[(4,4-difluorocyclohexyl)amino]-5-[(2-thienylcarbonyl)amino]-D-arabinitol 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 1986
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 6/23/2022 2:21:37 PM
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Identificators

InChI InChI=1S/C16H22F2N2O3S/c17-16(18)5-3-10(4-6-16)20-11-9-23-12(14(11)21)8-19-15(22)13-2-1-7-24-13/h1-2,7,10-12,14,20-21H,3-6,8-9H2,(H,19,22)/t11-,12-,14+/m1/s1
InChI Key WOZISTNEHRZBOD-BZPMIXESSA-N
Canonical SMILES C1CC(CCC1NC2COC(C2O)CNC(=O)C3=CC=CS3)(F)F
CAS
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Other Names D-Arabinitol, 1,4-anhydro-2,5-dideoxy-2-[(4,4-difluorocyclohexyl)amino]-5-[(2-thienylcarbonyl)amino]-;
NAT19-551313

In Other Databases

PubChem 75536595
ChemSpider 29858490
ChEMBL CHEMBL3437350