Methotrexate-d3

Name: Methotrexate-d3
Brand: Vaqora Chemicals
SKU: VQ-031833

About Methotrexate-d3

Listed under CAS 432545-63-6, Methotrexate-d3 is a stable isotope labelled analogue related to Methotrexate available from Vaqora Chemicals. With the molecular formula C20H22N8O5, it has a molar mass of 457.5 g/mol. Its systematic (IUPAC) name is (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-(trideuteriomethyl)amino]benzoyl]amino]pentanedioic acid. Common synonyms include TMIH-0335.

The product is provided as a solid. Reference materials should be stored sealed and away from light and moisture, as specified on the accompanying COA. The GHS classification uses the signal word “Danger”, so appropriate gloves, eye protection and ventilation are recommended.

Its mass shift relative to the unlabelled analyte makes it a dependable internal standard for LC-MS/MS assays, improving accuracy in bioanalysis, therapeutic drug monitoring and method validation. It is used across pharmaceutical manufacturing and academic and industrial research.

We offer Methotrexate-d3 in 10 mg, 25 mg, 50 mg and 100 mg packs with a batch-specific COA, and ship to customers worldwide.

Typical applications

LC-MS/MS internal standard
Bioanalytical quantitation
Pharmacokinetic studies

Industries

Related to Methotrexate

View every impurity, metabolite and intermediate we list for Methotrexate.

Methotrexate impurities

Grade guides

Specifications & identifiers

Chemical identifiers
Product name	Methotrexate-d3
Catalogue No.	VQ-031833
CAS Number	432545-63-6
IUPAC name	(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-(trideuteriomethyl)amino]benzoyl]amino]pentanedioic acid
Molecular formula	C₂₀H₂₂N₈O₅
Molecular weight	457.5 g/mol
Exact mass	457.1901
Grade	Reference Standard
HSN code	38229090
InChIKey	FBOZXECLQNJBKD-FUPFOCIHSA-N
SMILES	[2H]C([2H])([2H])N(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O
PubChem CID	10895754

Physical properties
Physical form	Solid
LogP (XLogP3)	-1.8
H-bond donors / acceptors	5 / 12
TPSA	211 Å²

Safety & hazard information (GHS)

Toxic

Harmful / irritant

Health hazard

Signal word: Danger

Hazard statements

H301Toxic if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
H340May cause genetic defects
H360May damage fertility or the unborn child

Precautionary statements: P203, P264, P264 + P265, P270, P280, P301 + P316, P302 + P352, P305 + P351 + P338, P318, P321, P330, P332 + P317, P337 + P317, P362 + P364, P405, P501

Classification is indicative (aggregated GHS notifications) and may vary by grade and concentration. Always refer to the SDS supplied with your lot.

Documents

Safety Data Sheet (SDS)16-section GHS · on request Certificate of AnalysisTypical / batch COA · on request Specification sheetTDS / MOA · on request

Frequently asked questions

What is the CAS number of Methotrexate-d3?

The CAS Registry Number of Methotrexate-d3 is 432545-63-6. It is also known as TMIH-0335, (4-(((2,4-diaminopteridin-6-yl)methyl)(methyl-d3)amino)benzoyl)-L-glutamic acid, N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methyl-d3-amino]benzoyl]-l-glutamic acid.

What is the molecular formula and molecular weight of Methotrexate-d3?

Methotrexate-d3 has the molecular formula C20H22N8O5 and a molecular weight of 457.5 g/mol. Its IUPAC name is (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-(trideuteriomethyl)amino]benzoyl]amino]pentanedioic acid.

What is Methotrexate-d3 used for?

Methotrexate-d3 is supplied as a characterised reference material related to Methotrexate. It is used for analytical method development and validation (AMV), impurity profiling, stability studies and quality control, and in ANDA/DMF regulatory filings.

Which grade and pack sizes of Methotrexate-d3 can I order?

We supply Methotrexate-d3 in Reference Standard grade, in 10 mg, 25 mg, 50 mg, 100 mg packs. Larger bulk quantities and custom packing are quoted on request.

Do you provide a COA and SDS with Methotrexate-d3?

Yes. Every lot of Methotrexate-d3 is shipped with a batch-specific Certificate of Analysis, and a 16-section GHS Safety Data Sheet is provided with the quotation and the shipment.

Can Methotrexate-d3 be shipped internationally?

Yes. Methotrexate-d3 is classified as hazardous, so it is packed in UN-approved packaging and shipped as dangerous goods under IATA/IMDG rules. We export worldwide on EXW, FOB, CIF and DAP terms.