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Stable Isotope Labelled Standards (Deuterated, 13C, 15N)

Methotrexate-d3

Reference StandardAvailable on request

Order Methotrexate-d3 (CAS 432545-63-6) online at Zemixal. Lab and bulk packs, batch COA, fast global delivery. Packs from 10 mg.

Pack sizes
Methotrexate-d3 chemical structure
CAS number432545-63-6
FormulaC20H22N8O5
Molar mass457.5 g/mol
Physical formSolid
HS code38229090
InChIKeyFBOZXECLQNJBKD-FUPFOCIHSA-N
IUPAC name(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-(trideuteriomethyl)amino]benzoyl]amino]pentanedioic acid

About Methotrexate-d3

Methotrexate-d3 belongs to the Methotrexate reference-standard family in the Zemixal catalogue. Identity at a glance (Reference Standard): CAS 432545-63-6, formula C20H22N8O5 and molar mass 457.5 g/mol. It is handled as a solid.

Use cases we see most often

  • LC-MS/MS internal standard
  • Bioanalytical quantitation
  • Pharmacokinetic studies

Storage and safety notes

Classified under GHS with signal word Danger and hazard statements H301, H315, H319 and H340. Read the SDS before first use.

Order it in 10 mg, 25 mg, 50 mg and 100 mg packs or ask for a bulk quotation. Every shipment includes a certificate of analysis with characterisation data. Send an enquiry through the quote panel and you get a formal offer with Incoterms and delivery time.

Reference standards for Methotrexate

See every impurity, metabolite and related compound we list for this API.

Methotrexate standards

Typical uses

  • LC-MS/MS internal standard
  • Bioanalytical quantitation
  • Pharmacokinetic studies

Applications

Pharmaceutical Manufacturing and QCResearch Labs and Universities

Grade guides

Deuterated and Stable-Isotope-Labelled Compounds

Specifications and identifiers

Specifications of Methotrexate-d3
Product nameMethotrexate-d3
Catalogue numberZX-030546
CAS number432545-63-6
IUPAC name(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-(trideuteriomethyl)amino]benzoyl]amino]pentanedioic acid
Molecular formulaC20H22N8O5
Molar mass457.5 g/mol
Exact mass457.1901
GradeReference Standard
Physical formSolid
XLogP3-1.8
H-bond donors / acceptors5 / 12
Topological polar surface area211 Ų
HS code38229090
InChIKeyFBOZXECLQNJBKD-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 CID10895754
SynonymsTMIH-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

Lot values are stated on the batch certificate of analysis. Ask for a typical COA with your quotation.

Safety and GHS hazards

GHS06 Acute toxicity
Acute toxicity
GHS07 Irritant or harmful
Irritant or harmful
GHS08 Health hazard
Health hazard

Signal word Danger

  • 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 summarised from public GHS notifications. It can vary with grade and concentration, so always follow the SDS supplied with your lot.

Pack sizes

Pack sizes of Methotrexate-d3
10 mgQuoted on request
25 mgQuoted on request
50 mgQuoted on request
100 mgQuoted on request

Need a different size? Bulk drums and custom packing are quoted on request through the quote form on this page.

Questions about Methotrexate-d3

Which CAS number identifies Methotrexate-d3?
Methotrexate-d3 is registered under CAS 432545-63-6. You may also see it listed 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. Our catalogue number for this item is ZX-030546.
What are the formula and molar mass of Methotrexate-d3?
For Methotrexate-d3, its formula is C20H22N8O5 and its molar mass is 457.5 g/mol. The systematic (IUPAC) name is (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-(trideuteriomethyl)amino]benzoyl]amino]pentanedioic acid. InChIKey FBOZXECLQNJBKD-FUPFOCIHSA-N lets you match it in any structure database.
How is Methotrexate-d3 used in pharmaceutical QC?
Methotrexate-d3 is a characterised reference material linked to Methotrexate. Laboratories use it to identify and quantify this impurity during method development and validation, stability work, batch release testing and regulatory submissions.
What grade and pack sizes are available for Methotrexate-d3?
This listing is Reference Standard grade. Standard packs are 10 mg, 25 mg, 50 mg, 100 mg. Larger quantities and custom packing can be quoted on request.
Which documents come with Methotrexate-d3?
Each lot ships with a batch certificate of analysis and a 16-section GHS safety data sheet. A typical COA or specification sheet can be shared with the quotation before you order.
Can Zemixal ship Methotrexate-d3 to my country?
Yes. Because Methotrexate-d3 is classed as hazardous, it travels in UN-approved packaging as dangerous goods under IATA or IMDG rules, with the export paperwork your broker needs.

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