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Substance Name: Pemetrexed disodium heptahydrate
RN: 357166-29-1
UNII: 9T47E4OM16
InChIKey: QJVSMHJWAOSBMD-MYXYZBIASA-L

Molecular Formula

  • C20-H19-N5-O6.2Na.7H2-O

Molecular Weight

  • 597.4827
 

Names and Synonyms

Name of Substance

  • Pemetrexed disodium heptahydrate

Synonym

  • UNII-9T47E4OM16

Registry Numbers

CAS Registry Number

  • 357166-29-1

FDA UNII

  • 9T47E4OM16

System Generated Number

  • 0357166291

Structure Descriptors

InChI

1S/C20H21N5O6.2Na.7H2O/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);;;7*1H2/q;2*+1;;;;;;;/p-2/t13-;;;;;;;;;/m0........./s1

InChIKey

QJVSMHJWAOSBMD-MYXYZBIASA-L

Smiles

O.O.O.O.O.O.O.[Na+].[Na+].NC1=Nc2[nH]cc(CCc3ccc(cc3)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])c2C(=O)N1