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Pemetrexed-[d5]

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Pemetrexed-[d5]

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General Information
Catalog: BLP-004459
CAS: 1129408-57-6
Molecular Formula: C20H16D5N5O6
Molecular Weight: 432.44

Chemical Structure

Description	Pemetrexed-[d5], 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
IUPAC Name	(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-pentadeuteriopentanedioic acid
Related CAS	137281-23-3 (unlabelled)
Canonical SMILES	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)NC(CCC(=O)O)C(=O)O
InChI	InChI=1S/C20H21N5O6/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)/t13-/m0/s1/i7D2,8D2,13D
InChI Key	WBXPDJSOTKVWSJ-PVBALMIZSA-N
Purity	95% by CP; 95% atom D
Appearance	White to Pale Yellow Solid
Storage	Store at-20°C, Under inert atmosphere