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Almonertinib hydrochloride

CAT: 0127-BUP04854-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP04854-01Size:5 mg
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CAS Number
2134096-03-8
Synonyms
HS-10296 hydrochloride
Purity
=98%
Smiles
Cl.COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C2CC2)c2ccccc12

Chemical Information

HS-10296 hydrochloride
CAS Number2134096-03-8
PubChem CID137319707
IUPAC NameN-[5-[[4-(1-cyclopropylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;hydrochloride
Molecular FormulaC30H36ClN7O2
Molecular Weight562.1
Topological Polar Surface Area87.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Heavy Atom Count40
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.Cl
InChI
InChI=1S/C30H35N7O2.ClH/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);1H
InChIKey
CUXBWKDZKQGJNN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of HS-10296 hydrochloride
CAS: 2134096-03-8
CID: 137319707
Formula: C30H36ClN7O2
MW: 562.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight562.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Exact Mass561.2619011
Monoisotopic Mass561.2619011
Topological Polar Surface Area87.6 Ų
Heavy Atom Count40
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 Count2
Compound Is CanonicalizedYes

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JKD09603-01Almonertinib hydrochloride
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A21661-10Almonertinib hydrochloride (HS-10296 hydrochloride) 10mg
A21661-100Almonertinib hydrochloride (HS-10296 hydrochloride) 100mg
A21661-25Almonertinib hydrochloride (HS-10296 hydrochloride) 25mg
A21661-5Almonertinib hydrochloride (HS-10296 hydrochloride) 5mg
A21661-1Almonertinib hydrochloride (HS-10296 hydrochloride) 1mg
A21661-500Almonertinib hydrochloride (HS-10296 hydrochloride) 500mg
A21661-50Almonertinib hydrochloride (HS-10296 hydrochloride) 50mg
HY-112823-01Almonertinib

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