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Substance Name: Ibrutinib N-desacryloyl impurity
RN: 1022150-12-4
UNII: NR6GN4MC2R
InChIKey: GPSQYTDPBDNDGI-MRXNPFEDSA-N

Molecular Formula

  • C22-H22-N6-O

Molecular Weight

  • 386.4497
 
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Names and Synonyms

Name of Substance

  • Ibrutinib N-desacryloyl impurity

Synonyms

  • (R)-3-(4-Phenoxyphenyl)-1-(piperidin-3-yl)-1H-pyrazolo(3,4-d)pyrimidin-4-amine
  • 1H-Pyrazolo(3,4-d)pyrimidin-4-amine, 3-(4-phenoxyphenyl)-1-(3R)-3-piperidinyl-
  • Ibrutinib N-desacryloyl impurity
  • UNII-NR6GN4MC2R

Registry Numbers

CAS Registry Number

  • 1022150-12-4

FDA UNII

  • NR6GN4MC2R

System Generated Number

  • 1022150124

Structure Descriptors

InChI

1S/C22H22N6O/c23-21-19-20(15-8-10-18(11-9-15)29-17-6-2-1-3-7-17)27-28(22(19)26-14-25-21)16-5-4-12-24-13-16/h1-3,6-11,14,16,24H,4-5,12-13H2,(H2,23,25,26)/t16-/m1/s1

InChIKey

GPSQYTDPBDNDGI-MRXNPFEDSA-N

Smiles

Nc1ncnc2c1c(nn2[C@@H]3CCCNC3)c4ccc(Oc5ccccc5)cc4