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Substance Name: Tofacitinib metabolite M9
RN: 1269823-96-2
UNII: X9750OU426
InChIKey: FIQMDRYZOUHVEZ-PWSUYJOCSA-N

Molecular Formula

  • C16-H20-N6-O2

Molecular Weight

  • 328.374
 
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Names and Synonyms

Results Name

  • Tofacitinib metabolite M9

Name of Substance

  • 3-((3R,4R)-4-Methyl-3-(methyl(6-oxo-6,7- dihydro-5H-pyrrolo(2,3-d)pyrimidin-4-yl)amino)piperidin-1-yl)-3- oxopropanenitrile

Synonyms

  • 1-Piperidinepropanenitrile, 3-((6,7-dihydro-6-oxo-5H-pyrrolo(2,3-d)pyrimidin-4-yl)methylamino)-4-methyl-beta-oxo-
  • 3-((3R,4R)-4-Methyl-3-(methyl(6-oxo-6,7- dihydro-5H-pyrrolo(2,3-d)pyrimidin-4-yl)amino)piperidin-1-yl)-3- oxopropanenitrile
  • 3-(4-Methyl-3-(methyl(6-oxo-6,7-dihydro-5H-pyrrolo(2,3-d)pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile
  • Tofacitinib metabolite M9
  • UNII-X9750OU426

Registry Numbers

CAS Registry Number

  • 1269823-96-2

FDA UNII

  • X9750OU426

System Generated Number

  • 1269823962

Structure Descriptors

InChI

1S/C16H20N6O2/c1-10-4-6-22(14(24)3-5-17)8-12(10)21(2)16-11-7-13(23)20-15(11)18-9-19-16/h9-10,12H,3-4,6-8H2,1-2H3,(H,18,19,20,23)/t10-,12+/m1/s1

InChIKey

FIQMDRYZOUHVEZ-PWSUYJOCSA-N

Smiles

C[C@@H]1CCN(C[C@@H]1N(C)c2c3c(ncn2)NC(=O)C3)C(=O)CC#N