Pemetrexed Disodium Hemipentahydrate

Pemetrexed Disodium Hemipentahydrate

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Pemetrexed Disodium Hemipentahydrate

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Pemetrexed Disodium Hemipentahydrate

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Catalog Number	PR357166304
CAS	357166-30-4
Structure
Synonyms	Pemetrexed disodium hydrate
IUPAC Name	tetrasodium;(2S)-2-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioate;pentahydrate
Molecular Weight	1032.8
Molecular Formula	C40H48N10Na4O17
InChI	ZCTCZKWJFTYNMZ-WKUCUCPSSA-J
InChI Key	InChI=1S/2C20H21N5O6.4Na.5H2O/c221-20-24-16-15(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;;;;;;;;;/h21-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29);;;;;51H2/q;;4+1;;;;;/p-4/t2*13-;;;;;;;;;/m00........./s1
Isomeric SMILES	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-].C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-].O.O.O.O.O.[Na+].[Na+].[Na+].[Na+]
Therapeutic Category	Oncology

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