Cas no 432545-63-6 (Methotrexate-d)

Methotrexate-d structure
Methotrexate-d structure
Product Name:Methotrexate-d
CAS No:432545-63-6
MF:C20H22N8O5
MW:457.457767963409
CID:328897
PubChem ID:10895754
Update Time:2025-04-19

Methotrexate-d Chemical and Physical Properties

Names and Identifiers

    • L-Glutamic acid,N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methyl-d3-amino]benzoyl]- (9CI)
    • Methotrexate-d3
    • Methotrexate-d3 Heptaglutamate
    • Methotrexate-D3 solution
    • Methotrexate-d
    • HY-14519S
    • MS-28347
    • L-Glutamic acid,N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methyl-d3-amino]benzoyl]-(9ci)
    • DTXSID90962981
    • 432545-63-6
    • Methotrexate-D? (100?g/mL in Methanol with 1% 0.1N NaOH)
    • CS-0109156
    • N-(4-{[(4-Amino-2-imino-2,3-dihydropteridin-6-yl)methyl][(~2~H_3_)methyl]amino}benzoyl)glutamic acid
    • (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-(trideuteriomethyl)amino]benzoyl]amino]pentanedioic acid
    • Methotrexate-d3, Technical Grade 85per cent
    • 1ST10175
    • DB-266048
    • N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methyl-d3-amino]benzoyl]-l-glutamic acid
    • Methotrexate D3
    • Methotrexate-D3; L-Glutamic acid, N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methyl-d3-amino]benzoyl]-; N-[4-[[(2,4-Diamino-6-pteridinyl)methyl]methyl-d3-amino]benzoyl]-L-glutamic acid
    • Inchi: 1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1/i1D3
    • InChI Key: FBOZXECLQNJBKD-FUPFOCIHSA-N
    • SMILES: OC([C@H](CCC(=O)O)NC(C1C=CC(=CC=1)N(C([2H])([2H])[2H])CC1C=NC2=C(C(N)=NC(N)=N2)N=1)=O)=O

Computed Properties

  • Exact Mass: 457.19014607g/mol
  • Monoisotopic Mass: 457.19014607g/mol
  • Isotope Atom Count: 3
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 12
  • Heavy Atom Count: 33
  • Rotatable Bond Count: 9
  • Complexity: 704
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -1.8
  • Topological Polar Surface Area: 211?2

Experimental Properties

  • Color/Form: No data available
  • Density: 1.5±0.1 g/cm3
  • Melting Point: 210°C dec.
  • Boiling Point: No data available
  • Flash Point: Degrees Fahrenheit:48.2°F
    Degrees Celsius:9°C
  • PSA: 210.54000
  • LogP: 1.82170
  • Color/Form: 100?μg/mL in methanol with 0.01N NaOH
  • Vapor Pressure: No data available

Methotrexate-d Security Information

Methotrexate-d Pricemore >>

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