Chemical Compound

asciminib

CAS Registry Number1492952-76-7
asciminib chemical structure
Primary record

asciminib

CAS
1492952-76-7
PubChem CID
72165228
SMILES
C1CN(C[C@@H]1O)C2=C(C=C(C=N2)C(=O)NC3=CC=C(C=C3)OC(F)(F)Cl)C4=CC=NN4
Molecular Formula
C20H18ClF2N5O3
Molecular Weight
449.845
Exact Mass
449.1066
InChI
InChI=1S/C20H18ClF2N5O3/c21-20(22,23)31-15-3-1-13(2-4-15)26-19(30)12-9-16(17-5-7-25-27-17)18(24-10-12)28-8-6-14(29)11-28/h1-5,7,9-10,14,29H,6,8,11H2,(H,25,27)(H,26,30)/t14-/m1/s1
InChIKey
VOVZXURTCKPRDQ-CQSZACIVSA-N
LogP
3.4629
TPSA
103.37

Names and synonyms

  • asciminib
  • Scemblix
  • ABL-001
  • asciminibum
  • Asciminib free base
  • Asciminib?
  • ABL001
  • 1492952-76-7
  • Asciminib [USAN]
  • Example 9
  • ABL001-NX
  • NVP-ABL001
  • Asciminib (Standard)
  • Asciminib (ABL001)
  • Asciminib hydrochloride
  • ASCIMINIB [INN]
  • RefChem:58302
  • Asciminib (USAN/INN)
  • ASCIMINIB [WHO-DD]
  • ABL001-AAA
  • L1F3R18W77
  • C20H18ClF2N5O3
  • UNII-L1F3R18W77
  • VOVZXURTCKPRDQ-CQSZACIVSA-N
  • ABL-001-NX
  • GTPL8962
  • orb1302024
  • CHEMBL4208229
  • SCHEMBL15388306
  • SCHEMBL15388502