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03. Biological Effects of Specific Chemicals
03. Biological Effects of Specific Chemicals
pemetrexed disodium heptahydrate [CHEBI:63723] (1)
pemetrexed disodium heptahydrate [CHEBI:63723] (1)
pemetrexed disodium heptahydrate [CHEBI:63723] (1)
pemetrexed disodium heptahydrate [CHEBI:63723] (1)
05. Industrial Uses
05. Industrial Uses
pemetrexed disodium heptahydrate [CHEBI:63723] (1)
08. Chemical Category
08. Chemical Category
pemetrexed disodium heptahydrate [CHEBI:63723] (1)
pemetrexed disodium heptahydrate [CHEBI:63723] (1)
pemetrexed disodium heptahydrate [CHEBI:63723] (1)
pemetrexed disodium heptahydrate [CHEBI:63723] (1)
pemetrexed disodium heptahydrate [CHEBI:63723] (1)
ChEBI Compound Accession Identifier :
[CHEBI:63723]
ChEBI Compound Description :
An organic sodium salt that is the heptahydrate form of pemetrexed disodium. Inhibits thymidylate synthase (TS), 421 dihydrofolate reductase (DHFR), and glycinamide ribonucleotide formyltransferase (GARFT).
ChEBI Compound Identification Number :
63723
ChEBI InChI Value :
"InChI=1S/C20H21N5O6.2Na.7H2O/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;;;;;;;;;/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29);;;7*1H2/q;2*+1;;;;;;;/p-2/t13-;;;;;;;;;/m0........./s1"
ChEBI InChIKey Value :
QJVSMHJWAOSBMD-MYXYZBIASA-L
ChEBI Compound Name :
pemetrexed disodium heptahydrate
ChEBI SMILES Value :
O.O.O.O.O.O.O.[Na+].[Na+].Nc1nc(=O)c2c(CCc3ccc(cc3)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)c[nH]c2[nH]1
ChEBI Substance ID :
135610835
ChEBI URL :
ChEBI:63723
ChemSpider ID :
23089153
Ontomatica Chemical Accession Key (OnChAKey) :
QJVSMHJWAOSBMD_MYXYZBIASA_L_000_000000
PubChem Compound ID :
23725084