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CHEBI:760249 - pemetrexed disodium hemipentahydrate

Default Structure
ChEBI IDCHEBI:760249
ChEBI Namepemetrexed disodium hemipentahydrate
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaH2O.C20H19N5O6.C20H19N5O6.Na.Na.Na.Na.H2O.H2O.H2O.H2O
Net Charge0
Average Mass1032.837
Monoisotopic Mass1032.27897
SMILESNc1nc(=O)c2c(CCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)cnc2n1.Nc1nc(=O)c2c(CCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)cnc2n1.O.O.O.O.O.[Na+].[Na+].[Na+].[Na+]
InChIInChI=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
InChIKeyZCTCZKWJFTYNMZ-WKUCUCPSSA-J
Roles Classification
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
pemetrexed disodium hemipentahydrate (CHEBI:760249) has role antineoplastic agent (CHEBI:35610)
pemetrexed disodium hemipentahydrate (CHEBI:760249) is a glutamic acid derivative (CHEBI:24315)
Synonyms  Source
Pemetrexed disodium hemipentahydrateChEMBL
Pemetrexed sodium hemipentahydrateChEMBL
Brand Names  Source
CiambraChEMBL
Pemetrexed accordChEMBL
Pemetrexed krkaChEMBL
Pemetrexed medacChEMBL
Pemetrexed pfizer (previously pemetrexed hospira)ChEMBL