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

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

ID: Reference11700

Other Names: D-Arabinitol, 1,4-anhydro-2,5-dideoxy-2-[(4,4-difluorocyclohexyl)amino]-5-[(methylsulfonyl)amino]-;
NAT19-551513

Formula: C12H22F2N2O4S

Spectral Data

1,4-Anhydro-2,5-dideoxy-2-[(4,4-difluorocyclohexyl)amino]-5-[(methylsulfonyl)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 1725
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 8/25/2022 8:57:06 AM
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Identificators

InChI InChI=1S/C12H22F2N2O4S/c1-21(18,19)15-6-10-11(17)9(7-20-10)16-8-2-4-12(13,14)5-3-8/h8-11,15-17H,2-7H2,1H3/t9-,10-,11+/m1/s1
InChI Key ZNSFTEJCIXUHKC-MXWKQRLJSA-N
Canonical SMILES CS(=O)(=O)NCC1C(C(CO1)NC2CCC(CC2)(F)F)O
CAS
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Other Names D-Arabinitol, 1,4-anhydro-2,5-dideoxy-2-[(4,4-difluorocyclohexyl)amino]-5-[(methylsulfonyl)amino]-;
NAT19-551513

In Other Databases

PubChem 75536656
ChemSpider 29858566
ChEMBL CHEMBL3437535