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Substance Name: Pemetrexed sodium hydrate (2:4:5)
RN: 357166-30-4
UNII: F4GSH45R4C
InChIKey: ZCTCZKWJFTYNMZ-WKUCUCPSSA-J

Note

  • A guanine-derived ANTINEOPLASTIC AGENT that functions as a NUCLEIC ACID SYNTHESIS INHIBITOR through its binding to, and inhibition of, THYMIDYLATE SYNTHASE.

Molecular Formula

  • 2C20-H19-N5-O6.4Na.5H2-O

Molecular Weight

  • 1032.8322
 
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Names and Synonyms

Name of Substance

  • Pemetrexed sodium hydrate (2:4:5)

Synonyms

  • 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)
  • Pemetrexed disodium 2.5 hydrate
  • Pemetrexed sodium hydrate (2:4:5)
  • UNII-F4GSH45R4C

Registry Numbers

CAS Registry Number

  • 357166-30-4

FDA UNII

  • F4GSH45R4C

System Generated Number

  • 0357166304

Structure Descriptors

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

InChIKey

ZCTCZKWJFTYNMZ-WKUCUCPSSA-J

Smiles

O.O.O.O.O.[Na+].[Na+].[Na+].[Na+].NC1=Nc2[nH]cc(CCc3ccc(cc3)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])c2C(=O)N1.NC4=Nc5[nH]cc(CCc6ccc(cc6)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])c5C(=O)N4