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Substance Name: N-Deacetyl-N-hydroxyacetyl apremilast-o-glucuronide
RN: 1384814-93-0
UNII: 3O5LOZ8H92
InChIKey: PXGRPRMSHWEHFT-XYYMMDJTSA-N

Molecular Formula

  • C28-H32-N2-O14-S

Molecular Weight

  • 652.6268
 
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Names and Synonyms

Name of Substance

  • N-Deacetyl-N-hydroxyacetyl apremilast-o-glucuronide

Synonyms

  • Apremilast (m16)
  • beta-D-Glucopyranosiduronic acid, 2-((2-((1S)-1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl)amino)-2-oxoethyl
  • N-Deacetyl-N-hydroxyacetyl apremilast-o-glucuronide
  • UNII-3O5LOZ8H92

Registry Numbers

CAS Registry Number

  • 1384814-93-0

FDA UNII

  • 3O5LOZ8H92

System Generated Number

  • 1384814930

Structure Descriptors

InChI

1S/C28H32N2O14S/c1-4-42-18-10-13(8-9-17(18)41-2)16(12-45(3,39)40)30-25(35)14-6-5-7-15(20(14)26(30)36)29-19(31)11-43-28-23(34)21(32)22(33)24(44-28)27(37)38/h5-10,16,21-24,28,32-34H,4,11-12H2,1-3H3,(H,29,31)(H,37,38)/t16-,21+,22+,23-,24+,28-/m1/s1

InChIKey

PXGRPRMSHWEHFT-XYYMMDJTSA-N

Smiles

CCOc1cc(ccc1OC)[C@@H](CS(=O)(=O)C)N2C(=O)c3cccc(c3C2=O)NC(=O)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O