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Cediranib

CAT: 0127-BUP15324-03Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP15324-03Size:25 mg
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CAS Number
288383-20-0
Synonyms
AZD2171, NSC-732208
Purity
=95%
Smiles
O(C=1C2=C(C=C(OCCCN3CCCC3)C(OC)=C2)N=CN1)C=4C(F)=C5C(=CC4)NC(C)=C5

Chemical Information

Cediranib

4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-[3-(1-pyrrolidinyl)propoxy]quinazoline is an aromatic ether.

CAS Number288383-20-0
PubChem CID9933475
IUPAC Name4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline
Molecular FormulaC25H27FN4O3
Molecular Weight450.5
XLogP4.9
Topological Polar Surface Area72.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count33
Formal Charge0
Complexity624
SMILES
CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5
InChI
InChI=1S/C25H27FN4O3/c1-16-12-17-19(29-16)6-7-21(24(17)26)33-25-18-13-22(31-2)23(14-20(18)27-15-28-25)32-11-5-10-30-8-3-4-9-30/h6-7,12-15,29H,3-5,8-11H2,1-2H3
InChIKey
XXJWYDDUDKYVKI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cediranib
CAS: 288383-20-0
CID: 9933475
Formula: C25H27FN4O3
MW: 450.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight450.5
XLogP34.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass450.20671890
Monoisotopic Mass450.20671890
Topological Polar Surface Area72.5 Ų
Heavy Atom Count33
Formal Charge0
Complexity624
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

Alternative Products

CatalogName
MBS3603882-01Cediranib
206937Cediranib maleate
MBS386036-01Cediranib (AZD2171)
HY-13049-01Cediranib (maleate)

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