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Substance Name: o-Deethyl apremilast-o-glucuronide
RN: 1384814-91-8
UNII: 98S95XY31M
InChIKey: IHODEIGSZXAFEQ-YIKHYSHPSA-N

Molecular Formula

  • C26-H28-N2-O13-S

Molecular Weight

  • 608.5742
 
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Names and Synonyms

Name of Substance

  • o-Deethyl apremilast-o-glucuronide

Synonyms

  • Apremilast (m13)
  • beta-D-Glucopyranosiduronic acid, 5-((1S)-1-(4-(acetylamino)-1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-2-(methylsulfonyl)ethyl)-2-methoxyphenyl
  • o-Deethyl apremilast-o-glucuronide
  • UNII-98S95XY31M

Registry Numbers

CAS Registry Number

  • 1384814-91-8

FDA UNII

  • 98S95XY31M

System Generated Number

  • 1384814918

Structure Descriptors

InChI

1S/C26H28N2O13S/c1-11(29)27-14-6-4-5-13-18(14)24(34)28(23(13)33)15(10-42(3,37)38)12-7-8-16(39-2)17(9-12)40-26-21(32)19(30)20(31)22(41-26)25(35)36/h4-9,15,19-22,26,30-32H,10H2,1-3H3,(H,27,29)(H,35,36)/t15-,19+,20+,21-,22+,26-/m1/s1

InChIKey

IHODEIGSZXAFEQ-YIKHYSHPSA-N

Smiles

CC(=O)Nc1cccc2c1C(=O)N(C2=O)[C@H](CS(=O)(=O)C)c3ccc(c(c3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)OC