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pemetrexed disodium heptahydrate
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).


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03. Biological Effects of Specific Chemicals: biochemical uses [CHEBI:52206] > antimetabolite [CHEBI:35221] > pemetrexed disodium heptahydrate [CHEBI:63723]
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03. Biological Effects of Specific Chemicals 
03. Biological Effects of Specific Chemicals
 biochemical uses [CHEBI:52206] (3306) 
 enzyme inhibitor [CHEBI:23924] (825) 
 dihydrofolate reductase inhibitor [CHEBI:50683] (7) 
 pemetrexed disodium heptahydrate [CHEBI:63723] (1)
 thymidylate synthase inhibitor [CHEBI:63720] (3) 
 pemetrexed disodium heptahydrate [CHEBI:63723] (1)
 glycinamide ribonucleotide formyltransferase inhibitor [CHEBI:63721] (3) 
 pemetrexed disodium heptahydrate [CHEBI:63723] (1)
 antimetabolite [CHEBI:35221] (34) 
 pemetrexed disodium heptahydrate [CHEBI:63723] (1)
05. Industrial Uses 
05. Industrial Uses
 pharmaceutical [CHEBI:52217] (1978) 
 drug [CHEBI:23888] (1930) 
 antineoplastic agent [CHEBI:35610] (760) 
 pemetrexed disodium heptahydrate [CHEBI:63723] (1)
08. Chemical Category 
08. Chemical Category
 main group molecular entity [CHEBI:33579] (25650) 
 s-block molecular entity [CHEBI:33674] (7287) 
 alkali metal molecular entity [CHEBI:33296] (279) 
 sodium molecular entity [CHEBI:26712] (216) 
 sodium salt [CHEBI:26714] (213) 
 organic sodium salt [CHEBI:38700] (187) 
 pemetrexed disodium heptahydrate [CHEBI:63723] (1)
 alkali metal salt [CHEBI:35479] (248) 
 sodium salt [CHEBI:26714] (213) 
 organic sodium salt [CHEBI:38700] (187) 
 pemetrexed disodium heptahydrate [CHEBI:63723] (1)
 polyatomic entity [CHEBI:36357] (18777) 
 heteroatomic molecular entity [CHEBI:37577] (13672) 
 salt [CHEBI:24866] (931) 
 organic salt [CHEBI:24868] (775) 
 organic sodium salt [CHEBI:38700] (187) 
 pemetrexed disodium heptahydrate [CHEBI:63723] (1)
 alkali metal salt [CHEBI:35479] (248) 
 sodium salt [CHEBI:26714] (213) 
 organic sodium salt [CHEBI:38700] (187) 
 pemetrexed disodium heptahydrate [CHEBI:63723] (1)
 addition compound [CHEBI:35504] (113) 
 hydrate [CHEBI:35505] (111) 
 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