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Erdafitinib

CAT: 0926-FE76167-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-FE76167-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1346242-81-6
Synonyms
JNJ 42756493
MDL Number
MFCD28502040
Smiles
CC (C) NCCN (C1=CC2=NC (=CN=C2C=C1) C3=CN (N=C3) C) C4=CC (=CC (=C4) OC) OC
Molecular Formula
C25H30N6O2
Molecular Weight
446.54 g/mol
Controlled
No

Chemical Information

Erdafitinib

Erdafitinib is a Kinase Inhibitor. The mechanism of action of erdafitinib is as a Fibroblast Growth Factor Receptor Inhibitor, and Cytochrome P450 3A4 Inhibitor, and Cytochrome P450 3A4 Inducer, and P-Glycoprotein Inhibitor, and Organic Cation Transporter 2 Inhibitor.

CAS Number1346242-81-6
PubChem CID67462786
IUPAC NameN'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine
Molecular FormulaC25H30N6O2
Molecular Weight446.5
XLogP3.2
Topological Polar Surface Area77.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count33
Formal Charge0
Complexity583
SMILES
CC(C)NCCN(C1=CC2=NC(=CN=C2C=C1)C3=CN(N=C3)C)C4=CC(=CC(=C4)OC)OC
InChI
InChI=1S/C25H30N6O2/c1-17(2)26-8-9-31(20-10-21(32-4)13-22(11-20)33-5)19-6-7-23-24(12-19)29-25(15-27-23)18-14-28-30(3)16-18/h6-7,10-17,26H,8-9H2,1-5H3
InChIKey
OLAHOMJCDNXHFI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Erdafitinib
CAS: 1346242-81-6
CID: 67462786
Formula: C25H30N6O2
MW: 446.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight446.5
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass446.24302422
Monoisotopic Mass446.24302422
Topological Polar Surface Area77.3 Ų
Heavy Atom Count33
Formal Charge0
Complexity583
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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CatalogName
B2458-25Erdafitinib

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