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Substance Name: O-Demethyl-N-deacetyl apremilast-o-glucuronide
RN: 1384814-90-7
UNII: MZP23HH05I
InChIKey: VHHPTHASTVQNBL-SNMZJJBTSA-N

Molecular Formula

  • C25-H28-N2-O12-S

Molecular Weight

  • 580.5642
 
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Names and Synonyms

Name of Substance

  • O-Demethyl-N-deacetyl apremilast-o-glucuronide

Synonyms

  • Apremilast (m14)
  • beta-D-Glucopyranosiduronic acid, 4-((1S)-1-(4-amino-1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-2-(methylsulfonyl)ethyl)-2-ethoxyphenyl
  • O-Demethyl-N-deacetyl apremilast-o-glucuronide
  • UNII-MZP23HH05I

Registry Numbers

CAS Registry Number

  • 1384814-90-7

FDA UNII

  • MZP23HH05I

System Generated Number

  • 1384814907

Structure Descriptors

InChI

1S/C25H28N2O12S/c1-3-37-16-9-11(7-8-15(16)38-25-20(30)18(28)19(29)21(39-25)24(33)34)14(10-40(2,35)36)27-22(31)12-5-4-6-13(26)17(12)23(27)32/h4-9,14,18-21,25,28-30H,3,10,26H2,1-2H3,(H,33,34)/t14-,18+,19+,20-,21+,25-/m1/s1

InChIKey

VHHPTHASTVQNBL-SNMZJJBTSA-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)N