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Name |
Pemetrexed disodium hydrate |
EINECS | 814-356-7 |
CAS No. | 357166-30-4 | Density | N/A |
PSA | 439.99000 | LogP | -2.38330 |
Solubility | N/A | Melting Point |
N/A |
Formula | C20H21N5O6.5/2H2O.2Na | Boiling Point | N/A |
Molecular Weight | 1032.82000 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Pemetrexed disodium 2.5 hydrate; Pemetrexed disodium hemipenta hydrate; N-[4-[2-(2-Amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-L-glutamic acid disodium salt hydrate; Pemetrexeddisodiumhydrate; V2356; |
The systematic name of Pemetrexed disodium hydrate is tetrasodium (2S)-2-[[4-[2-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioate pentahydrate. With the CAS registry number 357166-30-4, it is also named as N-[4-[2-(2-Amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-L-glutamic acid disodium salt hydrate. In addition, its molecular formula is 2(C20H19N5Na2O6).5(H2O) and its molecular weight is 1032.84.
People can use the following data to convert to the molecule structure.
(1)SMILES: c1cc(ccc1CCc2c[nH]c3c2c(=O)nc([nH]3)N)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-].c1cc(ccc1CCc2c[nH]c3c2c(=O)nc([nH]3)N)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-].O.O.O.O.O.[Na+].[Na+].[Na+].[Na+]
(2)InChI: InChI=1/2C20H21N5O6.4Na.5H2O/c2*21-20-24-16-15(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;;;;;;;;;/h2*1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29);;;;;5*1H2/q;;4*+1;;;;;/p-4/t2*13-;;;;;;;;;/m00........./s1
(3)InChIKey: ZCTCZKWJFTYNMZ-RDJZXEORBY