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Substance Name: O-Demethyl apremilast glucuronide
RN: 1384814-89-4
UNII: W5MD5CX5XG
InChIKey: FEVPQGVGJIHPEA-RWIDXYMRSA-N

Molecular Formula

  • C27-H30-N2-O13-S

Molecular Weight

  • 622.601
 
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Names and Synonyms

Name of Substance

  • O-Demethyl apremilast glucuronide

Synonyms

  • Apremilast (m12)
  • beta-D-Glucopyranosiduronic acid, 4-((1S)-1-(4-(acetylamino)-1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-2-(methylsulfonyl)ethyl)-2-ethoxyphenyl
  • O-Demethyl apremilast glucuronide
  • UNII-W5MD5CX5XG

Registry Numbers

CAS Registry Number

  • 1384814-89-4

FDA UNII

  • W5MD5CX5XG

System Generated Number

  • 1384814894

Structure Descriptors

InChI

1S/C27H30N2O13S/c1-4-40-18-10-13(8-9-17(18)41-27-22(33)20(31)21(32)23(42-27)26(36)37)16(11-43(3,38)39)29-24(34)14-6-5-7-15(28-12(2)30)19(14)25(29)35/h5-10,16,20-23,27,31-33H,4,11H2,1-3H3,(H,28,30)(H,36,37)/t16-,20+,21+,22-,23+,27-/m1/s1

InChIKey

FEVPQGVGJIHPEA-RWIDXYMRSA-N

Smiles

CCOc1cc(ccc1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)[C@@H](CS(=O)(=O)C)N3C(=O)c4cccc(c4C3=O)NC(=O)C