Important Announcement

X

ChemIDplus is moving to PubChem in December 2022.
Please see the NLM Technical Bulletin article for more information.

Skip Navigation
ChemIDplus Lite•Browse•Advanced

Substance Name: Acalabrutinib [USAN:INN]
RN: 1420477-60-6
UNII: I42748ELQW
InChIKey: WDENQIQQYWYTPO-IBGZPJMESA-N

Note

  • Inhibits Bruton's tyrosine kinase; has antineoplastic activity.

Molecular Formula

  • C26-H23-N7-O2

Molecular Weight

  • 465.5147
 

Classification Codes

  • Antineoplastic
  • Antineoplastic Agents
  • Antiviral (COVID-19)
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Results Name

  • Acalabrutinib [USAN:INN]

Name of Substance

  • Acalabrutinib
  • Acalabrutinib [USAN:INN]

Synonyms

  • Acalabrutinib
  • Acalabrutinib [INN]
  • ACP-196
  • 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-
  • Calquence
  • UNII-I42748ELQW

Registry Numbers

CAS Registry Number

  • 1420477-60-6

FDA UNII

  • I42748ELQW

System Generated Number

  • 1420477606

Structure Descriptors

InChI

InChI=1S/C26H23N7O2/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/h3-4,8-14,16,19H,5,7,15H2,1H3,(H2,27,29)(H,28,30,35)/t19-/m0/s1

InChIKey

WDENQIQQYWYTPO-IBGZPJMESA-N

Smiles

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