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Erlotinib lactam impurity

CAT: 0804-HY-W002950-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0804-HY-W002950-01Size:25 g
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Description
Erlotinib lactam impurity (compound 7a) is a precursor of the tyrosine kinase inhibitor[1].
CAS Number
179688-29-0
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Drug Intermediate
Related Pathways
Others
Field of Research
Cancer
Purity
98.50
Smiles
O=C1NC=NC2=C1C=C(C(OCCOC)=C2)OCCOC
Molecular Formula
C14H18N2O5
Molecular Weight
294.30
Precautions
H302, H315, H319, H335
References & Citations
[1]Yann Seimbille, et al. Fluorine-18 labeling of 6,7-disubstituted anilinoquinazoline derivatives for positron emission tomography (PET) imaging of tyrosine kinase receptors: synthesis of 18F-Iressa and related molecular probes. J Label Compd Radiopharm 2005; 48: 829–843.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

6,7-Bis(2-methoxyethoxy)quinazolin-4(3H)-one

6,7-bis(2-methoxyethoxy)quinazolin-4(3H)-one is a member of quinazolines.

CAS Number179688-29-0
PubChem CID135409305
IUPAC Name6,7-bis(2-methoxyethoxy)-3H-quinazolin-4-one
Molecular FormulaC14H18N2O5
Molecular Weight294.30
XLogP0.4
Topological Polar Surface Area78.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count21
Formal Charge0
Complexity363
SMILES
COCCOC1=C(C=C2C(=C1)C(=O)NC=N2)OCCOC
InChI
InChI=1S/C14H18N2O5/c1-18-3-5-20-12-7-10-11(15-9-16-14(10)17)8-13(12)21-6-4-19-2/h7-9H,3-6H2,1-2H3,(H,15,16,17)
InChIKey
PMQWTUWLIGJTQD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6,7-Bis(2-methoxyethoxy)quinazolin-4(3H)-one
CAS: 179688-29-0
CID: 135409305
Formula: C14H18N2O5
MW: 294.30
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight294.30
XLogP30.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass294.12157168
Monoisotopic Mass294.12157168
Topological Polar Surface Area78.4 Ų
Heavy Atom Count21
Formal Charge0
Complexity363
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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