Cas no 137281-23-3 (Pemetrexed)

Pemetrexed structure
Pemetrexed structure
Product Name:Pemetrexed
CAS No:137281-23-3
MF:C20H21N5O6
MW:427.4106
MDL:MFCD00902635
CID:64472
PubChem ID:253661102
Update Time:2025-09-27

Pemetrexed Chemical and Physical Properties

Names and Identifiers

    • (S)-2-(4-(2-(2-Amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzamido)pentanedioic acid
    • PEMETREXED ACID
    • PEMETREXED
    • N-(4-[2-(2-Amino-4,7-Dihydro-4-oxo-1H-pyrrolo)[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-L-Gluamic Acid
    • L-Glutamic acid, N-[4-[2-(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-
    • Premetred disodium
    • PEFLOXACINMESYLATE PHARMA-0549
    • Pemetrexed Hydrate
    • (2S)-2-[[4-[2-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioic acid
    • (S)-2-(4-(2-(2-Amino-4-oxo-4,7-dihydro-1H-pyrrolo-[2,3-d]pyrimidin-5-yl)ethyl)benzamido)pentanedioic acid
    • (S)-2-(4-(2-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzamido)pentanedioic acid
    • N-[4-[2-(2-Amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-L-glutamic Acid
    • N-[4-[2-(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]L-Glutamic acid
    • Pemetrexed disodium
    • N-[4-[2-(2-Amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-L-glutamic acid disodium salt
    • 1juj
    • Alimta
    • LY231514
    • LY-231514
    • LYA
    • N-[4-[2-(2-Amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-L-glutamic acid
    • 04Q9AIZ7NO
    • Pemetrexed [INN:BAN]
    • Alimta (TN)
    • (S)-2-(4-(2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-
    • N-[4-[2(2-amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-L-glutamic acid
    • Premetrexed [Common mis-spelling]
    • L-Glutamic acid, N-(4-(2-(2-amino-4,7-dihydro-4-oxo-1H-pyrrolo(2,3-d)pyrimidin-5-yl)ethyl)benzoyl)-
    • PEMETREXED [HSDB]
    • L-GLUTAMIC ACID, N-(4-(2-(2-AMINO-4,7-DIHYDRO-4-OXO-3H-PYRROLO(2,3-D)PYRIMIDIN-5-YL)ETHYL)BENZOYL)-
    • D07472
    • N-[4-[2-(2-amino-3,4-dihydro-4-oxo-7h-pyrrolo[2,3-d]pyrimi-din-5-yl)ethyl]benzoyl]l-glutamic acid
    • UNII-04Q9AIZ7NO
    • PEMETREXED [INN]
    • 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID
    • Pemfexy (TN)
    • 137281-23-3
    • LY-2315
    • PEMETREXED [ORANGE BOOK]
    • BDBM50027656
    • CS-1297
    • J-502393
    • PEMETREXED [MI]
    • SCHEMBL7968
    • DB00642
    • Pemetrexed (TN)
    • (2S)-2-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioic acid
    • AKOS016842348
    • N-({4-[2-(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]phenyl}carbonyl)-L-glutamic acid
    • PEMETREXED FOR INJECTION
    • NSC-698037
    • NCGC00166414-11
    • N-(4-(2-(2-Amino-3,4-dihydro-4-oxo-7H-pyrrolo(2,3-d)pyrimdin-5-yl)ethyl)benzoyl)glutamic acid
    • DB-024764
    • Pemetrexed (INN)
    • BRD-K32842773-434-01-8
    • US9422297, Pemetrexed
    • NCGC00167517-01
    • 1006872-74-7
    • BRD-K32842773-304-03-9
    • pemetrexedum
    • AC-1701
    • PEMETREXED [WHO-DD]
    • BP164240
    • PEMETREXED [EMA EPAR]
    • s5971
    • NCGC00242485-01
    • Pemetrexed- Bio-X
    • CHEBI:63616
    • CHEMBL225072
    • BRD-K32842773-304-04-7
    • AKOS015896253
    • Premetrexed (Common mis-spelling)
    • WBXPDJSOTKVWSJ-ZDUSSCGKSA-N
    • AB01273937-01
    • PEMFEXY
    • Multitargeted Antifolate
    • N-(4-[2-(2-amino-4,7-Dihydro-4-Oxo-1H-Pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl)-L-Glutamic Acid
    • NSC698037
    • DTXCID7028304
    • Q415220
    • PEMETREXED [VANDF]
    • N-(4-(2-(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo(2,3-d)pyrimidin-5-yl)ethyl)benzoyl)-L-glutamic acid
    • L-Glutamic acid,3-d]pyrimidin-5-yl]ethyl]benzoyl]-
    • AS-30680
    • L-Glutamic Acid, N-(4-(2-(2-Amino-4,7-dihydro-4-oxo-1H-pyrrolo(2,3-d)pyrimidin-5-yl)ethyl)benzoyl)
    • N-[4-[2-[2-Amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]ethyl]benzoyl]glutamic acid
    • EN300-7396246
    • N-[4-[2(2-amino-4,7-dihydro-4-oxo-1H-pyrrolo [2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-L-glutamic acid
    • N-(P-(2-(2-AMINO-4,7-DIHYDRO-4-OXO-1H-PYRROLO(2,3-D)PYRIMIDIN-5-YL)ETHYL)BENZOYL)-L-GLUTAMATE
    • Alimta (TN) (Lilly)
    • HY-10820
    • P2288
    • DTXSID2048329
    • N-(4-(2-(2-AMINO-4,7-DIHYDRO-4-OXO-1H-PYRROLO(2,3-D)PYRIMIDIN-5-YL)ETHYL)BENZOYL)-L-GLUTAMIC ACID
    • HSDB 7316
    • (2S)-2-{[4-(2-{2-amino-4-oxo-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-5-yl}ethyl)phenyl]formamido}pentanedioic acid
    • N-{4-[2-(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}-L-glutamic acid
    • Pemetrexed
    • MDL: MFCD00902635
    • Inchi: 1S/C20H21N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/t13-/m0/s1
    • InChI Key: WBXPDJSOTKVWSJ-ZDUSSCGKSA-N
    • SMILES: O=C1C2=C(N=C(N([H])[H])N1[H])N([H])C([H])=C2C([H])([H])C([H])([H])C1C([H])=C([H])C(C(N([H])[C@]([H])(C(=O)O[H])C([H])([H])C([H])([H])C(=O)O[H])=O)=C([H])C=1[H]

Computed Properties

  • Exact Mass: 427.14900
  • Monoisotopic Mass: 427.149
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 31
  • Rotatable Bond Count: 9
  • Complexity: 748
  • 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
  • Topological Polar Surface Area: 187
  • XLogP3: 0.2

Experimental Properties

  • Color/Form: Powder
  • Density: 1.59
  • Refractive Index: 1.723
  • PSA: 191.26000
  • LogP: 1.63850
  • Merck: 7077

Pemetrexed Security Information

Pemetrexed Customs Data

  • HS CODE:2933990090
  • Customs Data:

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Pemetrexed Pricemore >>

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