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Crizotinib hydrochloride 100mg

CAT: 0628-A16245-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0628-A16245-100Size:100 mg
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CAS Number
1415560-69-8

Chemical Information

2-Pyridinamine, 3-((1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1-(4-piperidinyl)-1H-pyrazol-4-yl)-, hydrochloride (1:1)
CAS Number1415560-69-8
PubChem CID71576688
IUPAC Name3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;hydrochloride
Molecular FormulaC21H23Cl3FN5O
Molecular Weight486.8
Topological Polar Surface Area78
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity557
SMILES
C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N.Cl
InChI
InChI=1S/C21H22Cl2FN5O.ClH/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15;/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27);1H/t12-;/m1./s1
InChIKey
BTDNHKQCPIBABF-UTONKHPSSA-N
Chemical Structure
2D Structure
2D structure of 2-Pyridinamine, 3-((1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1-(4-piperidinyl)-1H-pyrazol-4-yl)-, hydrochloride (1:1)
CAS: 1415560-69-8
CID: 71576688
Formula: C21H23Cl3FN5O
MW: 486.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight486.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass485.095222
Monoisotopic Mass485.095222
Topological Polar Surface Area78 Ų
Heavy Atom Count31
Formal Charge0
Complexity557
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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