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Crizotinib hydrochloride 200mg

CAT: 0628-A16245-200Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0628-A16245-200Size:200 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
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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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