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

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Systematic / IUPAC Name: 1-[[(2R,3S,4R)-4-[(4,4-Difluorocyclohexyl)amino]-3-hydroxyoxolan-2-yl]methyl]-3-phenylurea

ID: Reference11259

Other Names: D-Arabinitol, 1,4-anhydro-2,5-dideoxy-2-[(4,4-difluorocyclohexyl)amino]-5-[[(phenylamino)carbonyl]amino]-;
NAT19-551913

Formula: C18H25F2N3O3

Spectral Data

1,4-Anhydro-2,5-dideoxy-2-[(4,4-difluorocyclohexyl)amino]-5-[(phenylcarbamoyl)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 1393
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 3/4/2022 8:05:04 AM
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Identificators

InChI InChI=1S/C18H25F2N3O3/c19-18(20)8-6-13(7-9-18)22-14-11-26-15(16(14)24)10-21-17(25)23-12-4-2-1-3-5-12/h1-5,13-16,22,24H,6-11H2,(H2,21,23,25)/t14-,15-,16+/m1/s1
InChI Key FMBCXEFOFCZZKY-OAGGEKHMSA-N
Canonical SMILES C1CC(CCC1NC2COC(C2O)CNC(=O)NC3=CC=CC=C3)(F)F
CAS
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Other Names D-Arabinitol, 1,4-anhydro-2,5-dideoxy-2-[(4,4-difluorocyclohexyl)amino]-5-[[(phenylamino)carbonyl]amino]-;
NAT19-551913

In Other Databases

ChEMBL CHEMBL3437153
PubChem 75536768
ChemSpider 29858692