Cas no 357166-30-4 (Pemetrexed disodium hemipenta hydrate (Synonyms: Pemetrexed sodium hydrate))

Pemetrexed disodium hemipenta hydrate (Synonyms: Pemetrexed sodium hydrate) structure
357166-30-4 structure
Product Name:Pemetrexed disodium hemipenta hydrate (Synonyms: Pemetrexed sodium hydrate)
CAS No:357166-30-4
MF:C20H21N5O6 . 5/2 H2O . 2Na
MW:516.42
MDL:MFCD13194950
CID:67828
PubChem ID:135564527
Update Time:2024-11-01

Pemetrexed disodium hemipenta hydrate (Synonyms: Pemetrexed sodium hydrate) Chemical and Physical Properties

Names and Identifiers

    • Pemetrexed disodium hydrate
    • 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 hydrate
    • Pemetrexed (disodium hemipenta hydrate)
    • Pemetrexed disodium
    • Pemetrexed disodium 2.5 hydrate
    • Pemetrexed Disodium hemipenta hydrate
    • PeMetrexed disodiuM hepthydrate
    • Pemetrexed Disodium Hydrate (Discontinued)
    • tetrasodium,(2S)-2-[[4-[2-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioate,pentahydrate
    • V2356
    • Pemetrexed disodium salt 2.5 hydrate, 98%
    • CID 137304555
    • PeMetrexed sodiuM hydrate (1:2:2.5)
    • PeMetrexed (disodiuM heMipenta hydrate) (1:2:2.5)
    • L-GlutaMic acid,N-[4-[2-(2-aMino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyriMidin-5-yl)ethyl]benzoyl]-,sodiuM salt, hydrate (2:4:5) (9CI)
    • LY-231514 Disodium Hydrate
    • LY231514 disodium hemipenta hydrate
    • PEMETREXED DISODIUM 2.5-HYDRATE [EP MONOGRAPH]
    • AS-17891
    • PEMRYDI RTU
    • 357166-30-4
    • 150399-23-8
    • (S)-2-(4-(2-(2-Amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzamido)pentanedioic acid, sodium salt 2.5 hydrate
    • AC-8339
    • AKOS016005851
    • F4GSH45R4C
    • Pemetrexed disodium hemipentahydrate
    • DTXSID10189239
    • PEMETREXED DISODIUM 2.5-HYDRATE (EP MONOGRAPH)
    • ZCTCZKWJFTYNMZ-WKUCUCPSSA-J
    • PEMETREXED DISODIUM HEMIPENTAHYDRATE [WHO-DD]
    • Pemetrexed sodium hemipentahydrate (JAN)
    • (S)-2-(4-(2-(2-Amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzamido)pentanedioicacid,sodiumsalt2.5hydrate
    • TETRASODIUM BIS(PEMETREXED(2-)) PENTAHYDRATE
    • PEMETREXED SODIUM HEMIPENTAHYDRATE [JAN]
    • Pemetrexed disodium- Bio-X
    • UNII-F4GSH45R4C
    • Q27277627
    • Pemetrexed accord
    • BP164243
    • L-Glutamic acid, N-(4-(2-(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo(2,3-d)pyrimidin-5-yl)ethyl)benzoyl)-, sodium salt, hydrate (2:4:5)
    • Disodium N-(4-(2-(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo(2,3-d)pyrimidin-5-yl)ethyl)benzoyl)-L-glutamate hemipentahydrate
    • D10596
    • BCP22709
    • PEMETREXED SODIUM HEMIPENTAHYDRATE
    • Pemetrexed accord (TN)
    • tetrasodium;(2S)-2-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioate;pentahydrate
    • Pemetrexed sodium hydrate (2:4:5)
    • DTXCID90111730
    • Pemetrexed disodium hemipenta hydrate (Synonyms: Pemetrexed sodium hydrate)
    • MDL: MFCD13194950
    • Inchi: 1S/2C20H21N5O6.4Na.5H2O/c2*21-20-24-16-15(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;;;;;;;;;/h2*1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29);;;;;5*1H2/q;;4*+1;;;;;/p-4/t2*13-;;;;;;;;;/m00........./s1
    • InChI Key: ZCTCZKWJFTYNMZ-WKUCUCPSSA-J
    • SMILES: [C@H](NC(=O)C1C=CC(=CC=1)CCC1=CNC2NC(N)=NC(C1=2)=O)(CCC([O-])=O)C(=O)[O-].[C@H](NC(=O)C1C=CC(=CC=1)CCC1=CNC2NC(N)=NC(C1=2)=O)(CCC([O-])=O)C(=O)[O-].[Na+].[Na+].[Na+].[Na+].O.O.O.O.O

Computed Properties

  • Exact Mass: 1032.28000
  • Monoisotopic Mass: 489.124
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 17
  • Hydrogen Bond Acceptor Count: 19
  • Heavy Atom Count: 71
  • Rotatable Bond Count: 18
  • Complexity: 748
  • Covalently-Bonded Unit Count: 4
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 379

Experimental Properties

  • Color/Form: Powder
  • Melting Point: No data available
  • Boiling Point: No data available
  • Flash Point: No data available
  • Solubility: biological extracorporealIn Vitro:H2O≥ 29 mg/mL(56.16 mM)*"≥" means solublesoluble , but saturation unknownsolubilityunknown.
  • PSA: 439.99000
  • LogP: -2.38330
  • Vapor Pressure: No data available

Pemetrexed disodium hemipenta hydrate (Synonyms: Pemetrexed sodium hydrate) Security Information

Pemetrexed disodium hemipenta hydrate (Synonyms: Pemetrexed sodium hydrate) Pricemore >>

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