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Substance Name: Butyl 3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo(2,3-d)pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanoate
RN: 2227199-31-5
UNII: EXA92262Y4
InChIKey: IQFJFTIXSPNYQX-ZBFHGGJFSA-N

Molecular Formula

  • C20-H29-N5-O3

Molecular Weight

  • 387.476
 
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Names and Synonyms

Name of Substance

  • Butyl 3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo(2,3-d)pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanoate

Synonyms

  • 1-Piperidinepropanoic acid, 4-methyl-3-(methyl-7H-pyrrolo(2,3-d)pyrimidin-4-ylamino)-beta-oxo-, butyl ester, (3R,4R)-
  • Butyl 3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo(2,3-d)pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanoate
  • Tofacitinib n-butyl 3-oxopropanoate
  • UNII-EXA92262Y4

Registry Numbers

CAS Registry Number

  • 2227199-31-5

FDA UNII

  • EXA92262Y4

System Generated Number

  • 2227199315

Structure Descriptors

InChI

1S/C20H29N5O3/c1-4-5-10-28-18(27)11-17(26)25-9-7-14(2)16(12-25)24(3)20-15-6-8-21-19(15)22-13-23-20/h6,8,13-14,16H,4-5,7,9-12H2,1-3H3,(H,21,22,23)/t14-,16+/m1/s1

InChIKey

IQFJFTIXSPNYQX-ZBFHGGJFSA-N

Smiles

CCCCOC(=O)CC(=O)N1CC[C@@H](C)[C@H](C1)N(C)c2ncnc3[nH]ccc23