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Application Area
Environmental
Environmental

Stable isotope-labeled compounds are used as environmental pollutant standards for the detection of air, water, soil, sediment and food.

Clinical diagnostic
Clinical diagnostic

In addition to treating various diseases, isotopes are used for imaging, diagnosis, and newborn screening.

Organic Chemistry
Organic Chemistry

Small molecule compounds labeled with stable isotopes can be used as chemical reference for chemical identification, qualitative, quantitative, detection, etc. Various types of NMR solvents can be used to study the structure, reaction mechanism and reaction kinetics of compounds.

Metabolic Research
Metabolic Research

Stable isotope labeling allows researchers to study metabolic pathways in vivo in a safe manner.

Desmethyl Erlotinib-[d4]

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General Information
Catalog: BLP-003688
CAS: 1216420-11-9
Molecular Formula: C21H17D4N3O4
Molecular Weight: 383.44
Chemical Structure
Desmethyl Erlotinib-[d4]
Description Desmethyl Erlotinib-[d4], is an isotope labelled derivative of Desmethyl Erlotinib, which is a metabolite of Erlotinib. Erlotinib is a medication used to treat non-small cell lung cancer and pancreatic cancer.
Synonyms 2-[[4-[(3-Ethynylphenyl-d4)amino]-7-(2-methoxyethoxy)-6-quinazolinyl]oxy]ethanol; OSI-420-d4, Free Base; Desmethyl Erlotinib-d4
IUPAC Name 2-[7-(2-methoxyethoxy)-4-(2,3,4,6-tetradeuterio-5-ethynylanilino)quinazolin-6-yl]oxyethanol
Related CAS 183321-86-0 (unlabelled)
Canonical SMILES COCCOC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)OCCO
InChI InChI=1S/C21H21N3O4/c1-3-15-5-4-6-16(11-15)24-21-17-12-19(27-8-7-25)20(28-10-9-26-2)13-18(17)22-14-23-21/h1,4-6,11-14,25H,7-10H2,2H3,(H,22,23,24)/i4D,5D,6D,11D
InChI Key KOQIAZNBAWFSQM-GTNXRJHWSA-N
Boiling Point 572.8±50.0°C at 760 mmHg
Melting Point 145-152°C
Purity 96% by CP; 97% atom D
Density 1.3±0.1 g/cm3
Solubility Soluble in DMSO, Methanol
Appearance Light Beige Solid
Storage Store at-20°C
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