
API0232979
Asciminib Hydrochloride
Asciminib Hydrochloride is an anticancer drug (BCR-ABL inhibitor).
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CAS No.
2119669-71-3
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Synonyms
Asciminib hydrochloride; 2119669-71-3; Scemblix
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CHEMBL ID
CHEMBL4297220
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Indications
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Molecule Type
Small molecule
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Compound CID
133082086
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Molecular Weight (g/mol)
486.3
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Molecular Formula
C20H19Cl2F2N5O3
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InChI
InChI=1S/C20H18ClF2N5O3.ClH/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);1H/t14-;/m1./s1
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InChIKey
HGCOOPLEWPBLOY-PFEQFJNWSA-N
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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.Cl
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IUPAC Name
N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;hydrochloride
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Exact Mass (Da)
485.0833012
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Monoisotopic Mass (Da)
485.0833012
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