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Methotrexate Dimethyl Ester-[d3]

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Application Area

Metabolic Research

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

Environmental

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

Clinical diagnostic

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

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

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

Environmental

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

Methotrexate Dimethyl Ester-[d3]

Name: Methotrexate Dimethyl Ester-[d3]
Brand: BOC Sciences
Rating: 5 (1 reviews)

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General Information
Catalog: BLP-011937
CAS: 432545-60-3
Molecular Formula: C22H23D3N8O5
Molecular Weight: 485.51

Chemical Structure

Synonyms	Methotrexate-d3 Dimethyl Ester
IUPAC Name	dimethyl 2-[[4-[(2,4-diaminopteridin-6-yl)methyl-(trideuteriomethyl)amino]benzoyl]amino]pentanedioate
Related CAS	34378-65-9 (unlabelled)
Canonical SMILES	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)OC)C(=O)OC
InChI	InChI=1S/C22H26N8O5/c1-30(11-13-10-25-19-17(26-13)18(23)28-22(24)29-19)14-6-4-12(5-7-14)20(32)27-15(21(33)35-3)8-9-16(31)34-2/h4-7,10,15H,8-9,11H2,1-3H3,(H,27,32)(H4,23,24,25,28,29)/i1D3
InChI Key	DIQFVFAFHNQUTG-FIBGUPNXSA-N
Melting Point	>109°C (dec.)
Purity	95% atom D
Solubility	Soluble in DMSO, Methanol
Appearance	Yellow to Very Dark Yellow Solid
Storage	Store at -20°C