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CHEBI:756446 - pemetrexed tromethamine

Default Structure
ChEBI IDCHEBI:756446
ChEBI Namepemetrexed tromethamine
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaH2O.C20H21N5O6.C4H11NO3.C4H11NO3.H2O
Net Charge0
Average Mass705.719
Monoisotopic Mass705.31810
SMILESNC(CO)(CO)CO.NC(CO)(CO)CO.Nc1nc(=O)c2c(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cnc2n1.O.O
InChIInChI=1S/C20H21N5O6.2C4H11NO3.2H2O/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;2*5-4(1-6,2-7)3-8;;/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29);2*6-8H,1-3,5H2;2*1H2/t13-;;;;/m0..../s1
InChIKeyDUORKVZYABUEHW-AHJYMZSGSA-N
Roles Classification
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
pemetrexed tromethamine (CHEBI:756446) has role antineoplastic agent (CHEBI:35610)
pemetrexed tromethamine (CHEBI:756446) is a glutamic acid derivative (CHEBI:24315)
Synonyms  Source
Pemetrexed ditrometamolChEMBL
Pemetrexed ditromethamineChEMBL
Pemetrexed ditromethamine dihydrateChEMBL
Pemetrexed tromethamineChEMBL
Pemetrexed tromethamine anhydrousChEMBL
Brand Name  Source
Pemetrexed pfizer (previously known as pemetrexed hospira uk limited)ChEMBL