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Almonertinib 500mg

CAT: 0628-A22232-500Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0628-A22232-500Size:500 mg
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CAS Number
1899921-05-1

Chemical Information

Aumolertinib

Almonertinib is a third-generation EGFR tyrosine kinase inhibitor targeting EGFR-sensitizing and T790M resistance mutations. Unlike other third-generation EGFR TKIs, almonertinib is a pyrimidine-based drug that forms a covalent bond to the binding site of the EGFR tyrosine kinase domain. On March 19, 2020, almonertinib was approved in China for the treatment of EGFR T790M+ non-small cell lung cancer. Almonertinib was also approved by the EMA on February 20, 2026.

CAS Number1899921-05-1
PubChem CID121280087
IUPAC NameN-[5-[[4-(1-cyclopropylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide
Molecular FormulaC30H35N7O2
Molecular Weight525.6
XLogP4.2
Topological Polar Surface Area87.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Heavy Atom Count39
Formal Charge0
Complexity823
SMILES
CN(C)CCN(C)C1=CC(=C(C=C1NC(=O)C=C)NC2=NC=CC(=N2)C3=CN(C4=CC=CC=C43)C5CC5)OC
InChI
InChI=1S/C30H35N7O2/c1-6-29(38)32-24-17-25(28(39-5)18-27(24)36(4)16-15-35(2)3)34-30-31-14-13-23(33-30)22-19-37(20-11-12-20)26-10-8-7-9-21(22)26/h6-10,13-14,17-20H,1,11-12,15-16H2,2-5H3,(H,32,38)(H,31,33,34)
InChIKey
DOEOECWDNSEFDN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Aumolertinib
CAS: 1899921-05-1
CID: 121280087
Formula: C30H35N7O2
MW: 525.6
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight525.6
XLogP34.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Exact Mass525.28522338
Monoisotopic Mass525.28522338
Topological Polar Surface Area87.6 Ų
Heavy Atom Count39
Formal Charge0
Complexity823
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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