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CHEBI:135757 - edatrexate

ChEBI IDCHEBI:135757
ChEBI Nameedatrexate
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC22H25N7O5
Net Charge0
Average Mass467.486
Monoisotopic Mass467.19172
SMILESCCC(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1
InChIInChI=1S/C22H25N7O5/c1-2-11(9-14-10-25-19-17(26-14)18(23)28-22(24)29-19)12-3-5-13(6-4-12)20(32)27-15(21(33)34)7-8-16(30)31/h3-6,10-11,15H,2,7-9H2,1H3,(H,27,32)(H,30,31)(H,33,34)(H4,23,24,25,28,29)/t11?,15-/m0/s1
InChIKeyFSIRXIHZBIXHKT-MHTVFEQDSA-N
ChEBI Ontology
Outgoing Relation(s)
edatrexate (CHEBI:135757) is a glutamic acid derivative (CHEBI:24315)
Manual XrefsDatabases
986DrugCentral
Registry NumbersSources
CAS:80576-83-6DrugCentral