1-Deoxy-1-[methyl[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amino]-β-D-glucopyranuronic acid

CAS Registry Number®

96735-71-6
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CAS Name

1-Deoxy-1-[methyl[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amino]-β-D-glucopyranuronic acid

Molecular Formula

C23H26F3NO7

Molecular Mass

485.45

Cite this Page

1-Deoxy-1-[methyl[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amino]-β-D-glucopyranuronic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=96735-71-6 (retrieved 2024-09-20) (CAS RN: 96735-71-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C23H26F3NO7/c1-27(21-19(30)17(28)18(29)20(34-21)22(31)32)12-11-16(13-5-3-2-4-6-13)33-15-9-7-14(8-10-15)23(24,25)26/h2-10,16-21,28-30H,11-12H2,1H3,(H,31,32)/t16?,17-,18-,19+,20-,21+/m0/s1

InChIKey

InChIKey=ROQAUFRWFXOLOE-FEKBJPIOSA-N

SMILES

N(CCC(OC1=CC=C(C(F)(F)F)C=C1)C2=CC=CC=C2)(C)[C@@H]3O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]3O

Canonical SMILES

O=C(O)C1OC(N(C)CCC(OC2=CC=C(C=C2)C(F)(F)F)C=3C=CC=CC3)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranuronic acid, 1-deoxy-1-[methyl[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amino]-
  • 1-Deoxy-1-[methyl[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amino]-β-D-glucopyranuronic acid