Cas no 155405-81-5 (Pemetrexed Methyl Ester)

Pemetrexed Methyl Ester structure
Pemetrexed Methyl Ester structure
Product Name:Pemetrexed Methyl Ester
CAS No:155405-81-5
MF:C22H25N5O6
MW:455.463804960251
CID:904217
PubChem ID:136120839
Update Time:2025-04-19

Pemetrexed Methyl Ester Chemical and Physical Properties

Names and Identifiers

    • Pemetrexed Methyl Ester
    • (5AR,6S,9S,9AS)-2-MESITYL-6,11,11-TRIMETHYL-5A,6,7,8,9,9A-HEXAHYDRO-4H-6,9-METHANOBENZO[B][1,2,4]TRIAZOLO[4,3-D][1,4]OXAZIN-2-IUM TETRAFLUOROBORATE
    • dimethyl (2R)-2-[[4-[2-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioate
    • N-[4-[2-(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-L-Glutamic acid 1,5-dimethyl ester
    • Pemetrexed Methyl Es
    • PEMETREXED METHYL ESTER,BROWN SOLID
    • D-Pemetrexed Dimethyl Diester
    • N-[4-[2-(2-amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-L-glutamic dimethyl ester
    • N-[4-[2-(2-Amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-L-glutamic Acid 1,5-Dimethyl Diester
    • pemetrexed dimethyl ester
    • N-[4-[2-(2-Amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-L-glutamic acid dimethyl ester
    • 4-[2-(2-AMino-4-oxo-4,7-Dihydro-3H-pyrrolo[2,3-d]pyriMidine-5-yl)ethyl]-L-GlutaMicAcidDiethylEsterP-TluensulfonicAcidsalt
    • Pemetrexed Dimethyl Ester, S-
    • 1,5-Dimethyl N-[4-[2-(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-L-glutamate
    • 155405-81-5
    • L-Glutamic acid, N-[4-[2-(2-amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-, dimethyl ester
    • N-[4-[2-[2-amino-4,7 -dihydro-4-oxo-3H-pyrrolo[2,3 -d]pyrimidin-5-yl]ethyl]benzoyl]glutamic acid dimethyl ester
    • SCHEMBL1236538
    • L-Glutamic acid, N-[4-[2-(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-, 1,5-dimethyl ester
    • (S)-Dimethyl 2-(4-(2-(2-imino-4-oxo-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzamido)pentanedioate
    • WWYZIXUUERDREV-HNNXBMFYSA-N
    • TQP1621
    • dimethyl (2S)-2-[[4-[2-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioate
    • 1,5-DIMETHYL(2S)-2-{[4-(2-{2-AMINO-4-OXO-1H,7H-PYRROLO[2,3-D]PYRIMIDIN-5-YL}ETHYL)PHENYL]FORMAMIDO}PENTANEDIOATE
    • L-Glutamic acid, N-[4-[2-(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-, 1,5-dimethyl ester; L-Glutamic acid, N-[4-[2-(2-amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-, dimethyl ester (9CI); 1H-Pyrrolo[2,3-d]pyrimidine, L-glutamic acid deriv.
    • 1,5-DIMETHYL (2S)-2-{[4-(2-{2-AMINO-4-OXO-1H,7H-PYRROLO[2,3-D]PYRIMIDIN-5-YL}ETHYL)PHENYL]FORMAMIDO}PENTANEDIOATE
    • N-[4-[2-[2-Amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]ethyl]benzoyl]glutamic acid dimethyl ester
    • N-[4-[2-[2-Amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5 -yl]ethyl]benzoyl]glutamic acid dimethyl ester
    • M95QXL9U8J
    • Dimethyl (2S)-2-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioate
    • SCHEMBL8855178
    • (S)-dimethyl 2-(4-(2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzamido)pentanedioate
    • Inchi: 1S/C22H25N5O6/c1-32-16(28)10-9-15(21(31)33-2)25-19(29)13-6-3-12(4-7-13)5-8-14-11-24-18-17(14)20(30)27-22(23)26-18/h3-4,6-7,11,15H,5,8-10H2,1-2H3,(H,25,29)(H4,23,24,26,27,30)/t15-/m0/s1
    • InChI Key: WWYZIXUUERDREV-HNNXBMFYSA-N
    • SMILES: O(C)C([C@H](CCC(=O)OC)NC(C1C=CC(=CC=1)CCC1=CNC2=C1C(NC(N)=N2)=O)=O)=O

Computed Properties

  • Exact Mass: 455.18000
  • Monoisotopic Mass: 455.18048353g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 33
  • Rotatable Bond Count: 11
  • Complexity: 779
  • 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: 0.9
  • Topological Polar Surface Area: 165?2

Experimental Properties

  • PSA: 170.25000
  • LogP: 1.57650

Pemetrexed Methyl Ester Pricemore >>

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