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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.

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Metabolic Research

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

[1-Methyl-5-bis(2'-hydroxyethyl)aminobenzimidazolyl-2]butanoic Acid Ethyl Ester-[d3]

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General Information
Catalog: BLP-006203
CAS: 1286887-71-5
Molecular Formula: C18H24D3N3O4
Molecular Weight: 352.44
Chemical Structure
[1-Methyl-5-bis(2'-hydroxyethyl)aminobenzimidazolyl-2]butanoic Acid Ethyl Ester-[d3]
Description [1-Methyl-5-bis(2'-hydroxyethyl)aminobenzimidazolyl-2]butanoic Acid Ethyl Ester-[d3] is the labelled analogue of [1-Methyl-5-bis(2'-hydroxyethyl)aminobenzimidazolyl-2]butanoic Acid Ethyl Ester, which is an impurity of Bendamustine.
Synonyms [1-Methyl-5-bis(2'-hydroxyethyl)aminobenzimidazolyl-2]butanoic Acid Ethyl Ester-d3; 5-[Bis(2-hydroxyethyl)amino]-1-methyl-1H-benzimidazole-2-butanoic Acid Ethyl Ester-d3; 5-[Bis(2-hydroxyethyl)amino]-1-methyl-2-benzimidazolebutyric Acid Ethyl Ester-d3; Bendamustine Related Impurity 1-d3
IUPAC Name ethyl 4-[5-[bis(2-hydroxyethyl)amino]-1-(trideuteriomethyl)benzimidazol-2-yl]butanoate
Related CAS 3543-74-6 (unlabelled)
Canonical SMILES CCOC(=O)CCCC1=NC2=C(N1C)C=CC(=C2)N(CCO)CCO
InChI InChI=1S/C18H27N3O4/c1-3-25-18(24)6-4-5-17-19-15-13-14(7-8-16(15)20(17)2)21(9-11-22)10-12-23/h7-8,13,22-23H,3-6,9-12H2,1-2H3/i2D3
InChI Key SJYOJVBTSZGDQH-BMSJAHLVSA-N
Melting Point 102-105°C
Purity ≥95%
Solubility Soluble in Chloroform, Dichloromethane, Methanol
Appearance Off-white to Light Tan Solid
Storage Store at -20°C under inert atmosphere
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