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Substance Name: Itacitinib [USAN:INN]
RN: 1334298-90-6
UNII: 19J3781LPM
InChIKey: KTBSXLIQKWEBRB-UHFFFAOYSA-N

Classification Code

  • Antineoplastic

Molecular Formula

  • C26-H23-F4-N9-O

Molecular Weight

  • 553.5217
 
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Names and Synonyms

Name of Substance

  • INCB-039110
  • Itacitinib [USAN:INN]

Synonyms

  • 3-Azetidineacetonitrile, 1-(1-((3-fluoro-2-(trifluoromethyl)-4-pyridinyl)carbonyl)-4-piperidinyl)-3-(4-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)-1H-pyrazol-1-yl)-
  • INCB-039110
  • INCB039110
  • Itacitinib
  • UNII-19J3781LPM

Registry Numbers

CAS Registry Number

  • 1334298-90-6

FDA UNII

  • 19J3781LPM

System Generated Number

  • 1334298906

Structure Descriptors

InChI

InChI=1S/C26H23F4N9O/c27-20-18(1-7-32-22(20)26(28,29)30)24(40)37-9-3-17(4-10-37)38-13-25(14-38,5-6-31)39-12-16(11-36-39)21-19-2-8-33-23(19)35-15-34-21/h1-2,7-8,11-12,15,17H,3-5,9-10,13-14H2,(H,33,34,35)

InChIKey

KTBSXLIQKWEBRB-UHFFFAOYSA-N

Smiles

Fc1c(ccnc1C(F)(F)F)C(=O)N2CCC(CC2)N3CC(CC#N)(C3)n4cc(cn4)c5ncnc6[nH]ccc56