CHEBI:135757 - edatrexate

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ChEBI Name edatrexate
ChEBI ID CHEBI:135757
Stars This entity has been manually annotated by a third party.
Supplier Information ChemicalBook:CB7875719
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Formula C22H25N7O5
Net Charge 0
Average Mass 467.479
Monoisotopic Mass 467.19172
InChI InChI=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
InChIKey FSIRXIHZBIXHKT-MHTVFEQDSA-N
SMILES NC=1C=2C(=NC=C(N2)CC(CC)C3=CC=C(C=C3)C(N[C@@H](CCC(O)=O)C(O)=O)=O)N=C(N1)N
ChEBI Ontology
Outgoing edatrexate (CHEBI:135757) is a glutamic acid derivative (CHEBI:24315)
Manual Xref Database
986 DrugCentral
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Registry Number Type Source
80576-83-6 CAS Registry Number DrugCentral
Last Modified
23 February 2017