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Pemetrexed-[d5] disodium salt

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General Information
Catalog: BLP-003752
Molecular Formula: C20H14D5N5Na2O6
Molecular Weight: 476.41

Chemical Structure

Description	Pemetrexed-[d5] disodium salt, is the labelled analogue of Pemetrexed. Pemetrexed is a chemotherapy medication for the treatment of pleural mesothelioma and non-small cell lung cancer.
Synonyms	Pemetrexed D5 disodium salt
IUPAC Name	disodium;(2S)-2-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]-2,3,3,4,4-pentadeuteriopentanedioate
Related CAS	1129408-57-6 (free base)
Canonical SMILES	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)NC(CCC(=O)[O-])C(=O)[O-].[Na+].[Na+]
InChI	InChI=1S/C20H21N5O6.2Na/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);;/q;2*+1/p-2/t13-;;/m0../s1/i7D2,8D2,13D;;
InChI Key	NYDXNILOWQXUOF-GDOLQUNCSA-L
Melting Point	>220°C(dec.)
Purity	96% by CP; 98% atom D
Solubility	Soluble in Methanol, Water
Appearance	White to Pale Yellow Solid
Storage	Store at-20°C, Under inert atmosphere