Concept information
Preferred term
هپتهیدرات پتراکسد
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C20H33N5Na2O13
has_part
has_role
- CHEBI:63720
- CHEBI:63721
- آنتی متابولیت
- داروی ضدسرطان
- مهار کننده EC 1.5.1.3 (دی هیدروفولات ردوکتاز).
inchi
- 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
inchikey
- QJVSMHJWAOSBMD-MYXYZBIASA-L
mass
- 597.48130
monoisotopicmass
- 597.18702
smiles
- 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
subset
- 3_STAR
synonym EXACT
- disodium N-{4-[2-(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}-L-glutamate--water (1/7)
synonym RELATED
- Alimta
- Pemetrexed sodium hydrate
In other languages
-
English
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:63723
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