edatrexate

Summary

edatrexate is a group of stereoisomers^[1].

Key Facts

• edatrexate's instance of is recorded as group of stereoisomers^[2].
• edatrexate's CAS Registry Number is recorded as 80576-83-6^[3].
• edatrexate's canonical SMILES is recorded as CCC(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O^[4].
• edatrexate's InChI is recorded as 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^[5].
• edatrexate's InChIKey is recorded as FSIRXIHZBIXHKT-MHTVFEQDSA-N^[6].
• edatrexate's chemical formula is recorded as C₂₂H₂₅N₇O₅^[7].
• edatrexate's subclass of is recorded as chemical compound^[8].
• edatrexate's MeSH descriptor ID is recorded as C040210^[9].
• edatrexate's ChEMBL ID is recorded as CHEMBL296373^[10].
• edatrexate's UNII is recorded as JT4X6Z1HRR^[11].
• edatrexate's ChemSpider ID is recorded as 5293128^[12].
• edatrexate's PubChem CID is recorded as 6917908^[13].
• edatrexate's ChEBI ID is recorded as 135757^[14].
• edatrexate's isomeric SMILES is recorded as CCC(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC@@HC(=O)O^{C@@HC(=O)O">[15]}.
• edatrexate's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+467.192'}^[16].
• edatrexate's NSC number is recorded as 626715^[17].
• edatrexate's subject has role is recorded as antineoplastic^[18].
• edatrexate's subject has role is recorded as folic acid antagonists^[19].
• edatrexate's SureChEMBL ID is recorded as 4676^[20].
• edatrexate's UMLS CUI is recorded as C0044667^[21].
• edatrexate's DSSTox substance ID is recorded as DTXSID901318475^[22].
• edatrexate's UniChem compound ID is recorded as 288305^[23].
• edatrexate's DrugCentral ID is recorded as 986^[24].
• edatrexate's Probes And Drugs ID is recorded as PD072438^[25].
• edatrexate's NCI Drug Dictionary ID is recorded as edatrexate^[26].