Nombre del analito

Acalabrutinib-imidazo[1,5-a]pyrazin-N-oxide

Fórmula molecular

C26H23N7O3

Peso molecular

481.52

Masa exacta

481.19

SMILES

O=C(NC1=NC=CC=C1)C2=CC=C(C=C2)C3=C4C(N)=N(C=CN4C([C@@H]5CCCN5C(C#CC)=O)=N3)=O

InChI

InChI=1S/C26H23N7O3/c1-2-6-21(34)31-14-5-7-19(31)25-30-22(23-24(27)33(36)16-15-32(23)25)17-9-11-18(12-10-17)26(35)29-20-8-3-4-13-28-20/h3-4,8-13,15-16,19H,5,7,14,27H2,1H3,(H,28,29,35)/t19-/m0/s1

IUPAC

(S)-8-Amino-3-(1-(but-2-ynoyl)pyrrolidin-2-yl)-1-(4-(pyridin-2-ylcarbamoyl)phenyl)imidazo[1,5-a]pyrazine 7-oxide

País de origen

CANADA

Formato del producto

Neat