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Substance Name: Acalabrutinib maleate [USAN]
RN: 2242394-65-4
UNII: LV51EK7IGP
InChIKey: JWEQLWMZHJSMEC-AFJTUFCWSA-N

Classification Code

  • Treatment of Chronic Lymphocytic Leukemia and Mantle Cell Lymphoma

Molecular Formula

  • C26-H23-N7-O2.C4-H4-O4

Molecular Weight

  • 581.5787
 
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Names and Synonyms

Name of Substance

  • Acalabrutinib maleate [USAN]

Synonyms

  • 4-(8-Amino-3-((2S)-1-(but-2-ynoyl)pyrrolidin-2-yl)imidazo(1,5-a)pyrazin-1-yl)-N-(pyridin-2-yl)benzamide (2Z)-2-butenedioate (1:1)
  • Acalabrutinib maleate
  • UNII-LV51EK7IGP

Systematic Name

  • Benzamide, 4-(8-amino-3-((2S)-1-(1-oxo-2-butyn-1-yl)-2-pyrrolidinyl)imidazo(1,5-a)pyrazin-1-yl)-N-2-pyridinyl, (2Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 2242394-65-4

FDA UNII

  • LV51EK7IGP

System Generated Number

  • 2242394654

Structure Descriptors

InChI

1S/C26H23N7O2.C4H4O4/c1-2-6-21(34)32-15-5-7-19(32)25-31-22(23-24(27)29-14-16-33(23)25)17-9-11-18(12-10-17)26(35)30-20-8-3-4-13-28-20;5-3(6)1-2-4(7)8/h3-4,8-14,16,19H,5,7,15H2,1H3,(H2,27,29)(H,28,30,35);1-2H,(H,5,6)(H,7,8)/b;2-1-/t19-;/m0./s1

InChIKey

JWEQLWMZHJSMEC-AFJTUFCWSA-N

Smiles

CC#CC(=O)N1CCC[C@H]1c2nc(c3ccc(cc3)C(=O)Nc4ccccn4)c5c(N)nccn25.OC(=O)\C=C/C(=O)O