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Substance Name: Umbralisib tosylate [USAN]
RN: 1532533-72-4
UNII: FU8XW5V3FS
InChIKey: KYJWUPZPSXZEPG-NTISSMGPSA-N

Classification Code

  • Treatment of Cancer and B-Cell Related Disorders

Molecular Formula

  • C31-H24-F3-N5-O3.C7-H8-O3-S

Molecular Weight

  • 743.7598
 
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Names and Synonyms

Name of Substance

  • Umbralisib tosylate [USAN]

Synonyms

  • 2-((1S)-1-(4-amino-3-(3-fluoro-4-(propan-2-yloxy)phenyl)-1H-pyrazolo(3,4-d)pyrimidin-1-yl)ethyl)-6-fluoro-3-(3-fluorophenyl)-4H-1-benzopyran-4-one mono(4-methylbenzenesulfonate)
  • RP-5307
  • TGR-1202
  • Umbralisib tosylate
  • UNII-FU8XW5V3FS

Systematic Name

  • 4H-1-Benzopyran-4-one, 2-((1S)-1-(4-amino-3-(3-fluoro-4-(1-methylethoxy)phenyl)-1H-pyrazolo(3,4-d)pyrimidin-1-yl)ethyl)-6-fluoro-3-(3-fluorophenyl)-, 4-methylbenzenesulfonate (1:1)

Registry Numbers

CAS Registry Number

  • 1532533-72-4

FDA UNII

  • FU8XW5V3FS

System Generated Number

  • 1532533724

Structure Descriptors

InChI

1S/C31H24F3N5O3.C7H8O3S/c1-15(2)41-24-9-7-18(12-22(24)34)27-26-30(35)36-14-37-31(26)39(38-27)16(3)29-25(17-5-4-6-19(32)11-17)28(40)21-13-20(33)8-10-23(21)42-29;1-6-2-4-7(5-3-6)11(8,9)10/h4-16H,1-3H3,(H2,35,36,37);2-5H,1H3,(H,8,9,10)/t16-;/m0./s1

InChIKey

KYJWUPZPSXZEPG-NTISSMGPSA-N

Smiles

CC(C)Oc1ccc(cc1F)c2nn([C@@H](C)C3=C(C(=O)c4cc(F)ccc4O3)c5cccc(F)c5)c6ncnc(N)c26.Cc7ccc(cc7)S(=O)(=O)O