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Impurities and reference standards

Methotrexate-gamma-dimethylamide

Also known as Mxt-gamma-dma, Methotrexate Dimethylamide, Methotrexate Dimethylamide (>90%)

CAS 71074-44-7Formula C22H27N9O4Molar mass 481.52 g/molEC 987-124-7
GHS signal word: Warning. Pictograms: Harmful or irritant
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Methotrexate-gamma-dimethylamide chemical structure, C22H27N9O4, CAS 71074-44-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
71074-44-7
Formula
C22H27N9O4
Molar mass
481.52 g/mol
EC number
987-124-7
HS code
293359
Category
Impurities and reference standards

What is Methotrexate-gamma-dimethylamide?

Plain description, key identifiers and synonyms

Methotrexate-gamma-dimethylamide is a chemical substance with the molecular formula C22H27N9O4 and a molar mass of 481.52 g/mol. Its CAS registry number is 71074-44-7. The IUPAC name is (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-(dimethylamino)-5-oxopentanoic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-(dimethylamino)-5-oxopentanoic acid
CAS number
71074-44-7
EC number
987-124-7
Molecular formula
C22H27N9O4
UNII
UC96GAK6XY
InChIKey
BHFZGVOUGIGQGR-HNNXBMFYSA-N
InChI
InChI=1S/C22H27N9O4/c1-30(2)16(32)9-8-15(21(34)35)27-20(33)12-4-6-14(7-5-12)31(3)11-13-10-25-19-17(26-13)18(23)28-22(24)29-19/h4-7,10,15H,8-9,11H2,1-3H3,(H,27,33)(H,34,35)(H4,23,24,25,28,29)/t15-/m0/s1
Canonical SMILES
CN(C)C(=O)CCC(NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)O
Isomeric SMILES
CN(C)C(=O)CC[C@@H](C(=O)O)NC(=O)C1=CC=C(C=C1)N(C)CC2=CN=C3C(=N2)C(=NC(=N3)N)N

Synonyms

  • Mxt-gamma-dma
  • Methotrexate Dimethylamide
  • Methotrexate Dimethylamide (>90%)
  • (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-(dimethylamino)-5-oxopentanoic acid
  • (S)-2-(4-(((2,4-diaminopteridin-6-yl)methyl)(methyl)amino)benzamido)-5-(dimethylamino)-5-oxopentanoic acid
  • Methotrexate Impurity 20
  • Methotrexate Dimethylamide (>85%)
  • N2-[4-[[(2,4-Diamino-6-pteridinyl)methyl]methylamino]benzoyl]-N,N-dimethyl-L-glutamine
  • L-Glutamine, N2-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-N,N-dimethyl-
  • 2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-(dimethylamino)-5-oxopentanoic acid
  • L-Glutamine, N(sup 2)-(4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-N,N-dimethyl-
  • N2-(4-(((2,4-Diaminopteridin-6-yl)methyl)(methyl)amino)benzoyl)-N5,N5-dimethyl-L-glutamine

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
481.52 g/molcalc.
Exact mass
481.2186 Dacalc.
LogP (octanol/water)
0.27calc.
Topological polar surface area
193.6 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
10calc.
Rotatable bonds
9calc.
Heavy atoms
35calc.
Rings
3calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.32calc.
Formal charge
0calc.
Stereocentres
1calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, c1ccc(NCc2cnc3ncncc3n2)cc1

c1ccc(NCc2cnc3ncncc3n2)cc1

3 rings, 18 atoms.

202 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H302Harmful if swallowed.
  • H312Harmful in contact with skin.
  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
  • H332Harmful if inhaled.
  • H335May cause respiratory irritation.
Precautionary statements (20)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P317If swallowed: Get medical help.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P317Get medical help.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P332 + P317If skin irritation occurs: Get medical help.
  • P337 + P317If eye irritation persists: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

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Methotrexate-gamma-dimethylamide price

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Uses and applications

What the substance is used for, by industry and function

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Methotrexate-gamma-dimethylamide is traded under.

HS 2933.59Indicative HS code

Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring, other

World exports in 2024
$18.4B
+10.5% vs 2023, imports $24.8B
2019 to 2024
Top exporters
  1. Ireland43.6%
  2. Switzerland * partner reported26.3%
  3. China7.9%
Top importers
  1. Slovenia30.3%
  2. United States30.1%
  3. Germany15.3%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Methotrexate-gamma-dimethylamide is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Methotrexate-gamma-dimethylamide, based on the data on this page

What is Methotrexate-gamma-dimethylamide?

Methotrexate-gamma-dimethylamide is a chemical substance with the molecular formula C22H27N9O4 and a molar mass of 481.52 g/mol. Its CAS registry number is 71074-44-7. The IUPAC name is (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-(dimethylamino)-5-oxopentanoic acid.

What is the CAS number of Methotrexate-gamma-dimethylamide?

The CAS registry number of Methotrexate-gamma-dimethylamide is 71074-44-7.

What is the molecular formula and weight of Methotrexate-gamma-dimethylamide?

The molecular formula of Methotrexate-gamma-dimethylamide is C22H27N9O4 and its molar mass is 481.52 g/mol.

Is Methotrexate-gamma-dimethylamide hazardous?

Methotrexate-gamma-dimethylamide carries the GHS signal word "Warning". Main hazards: harmful if swallowed, harmful in contact with skin, causes skin irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Methotrexate-gamma-dimethylamide?

Methotrexate-gamma-dimethylamide is usually classified under HS code 293359 (Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Methotrexate-gamma-dimethylamide?

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What is the price of Methotrexate-gamma-dimethylamide?

Suppliers quote Methotrexate-gamma-dimethylamide on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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