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Substance Name: Desmethyltofacitinib
RN: 1527525-58-1
UNII: SXK0NN5WN7
InChIKey: RINVSZVUBKMZHU-PWSUYJOCSA-N

Molecular Formula

  • C15-H18-N6-O

Molecular Weight

  • 298.3482
 
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Names and Synonyms

Name of Substance

  • Desmethyltofacitinib

Synonyms

  • 1-Piperidinepropanenitrile, 4-methyl-beta-oxo-3-(7H-pyrrolo(2,3-d)pyrimidin-4-ylamino)-, (3R,4R)-
  • Desmethyltofacitinib
  • Tofacitinib metabolite M1
  • UNII-SXK0NN5WN7

Registry Numbers

CAS Registry Number

  • 1527525-58-1

FDA UNII

  • SXK0NN5WN7

System Generated Number

  • 1527525581

Structure Descriptors

InChI

1S/C15H18N6O/c1-10-4-7-21(13(22)2-5-16)8-12(10)20-15-11-3-6-17-14(11)18-9-19-15/h3,6,9-10,12H,2,4,7-8H2,1H3,(H2,17,18,19,20)/t10-,12+/m1/s1

InChIKey

RINVSZVUBKMZHU-PWSUYJOCSA-N

Smiles

C[C@@H]1CCN(C[C@@H]1Nc2ncnc3[nH]ccc23)C(=O)CC#N