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Basic Information |
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Product Name: | PEMETREXED DISODIUM HEPTAHYDRATE |
CAS: | 357166-29-1 ;150399-23-8 |
English Synonyms: | PEMETREXED (DISODIUM) ; PEMETREXED DISODIUM HEPTAHYDRATE ; PEMETREXED DISODIUM HEPTHYDRATE ; PEMETREXED, DISODIUM SALT, HEPTAHYDRATE ; PEMETREXED DISODIUM |
MDL Number.: | MFCD09029394 |
H bond acceptor: | 11 |
H bond donor: | 4 |
Smile: | c1cc(ccc1CCc2c[nH]c3c2c(=O)[nH]c(n3)N)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-].O.O.O.O.O.O.O.[Na+].[Na+] |
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: | InChIKey=QJVSMHJWAOSBMD-MYXYZBIASA-L |
* If the product has intellectual property rights, a license granted is must or contact us.