CAS 357166-29-1 Pemetrexed for system suitability - Analytical Products / Alfa Chemistry

CAT	APS357166291A
CAS	357166-29-1
Structure
Synonyms	Disodium (2S)-2-[[4-[2-(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioate heptahydrate, L-Glutamic acid, N-[4-[2-(2-amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-, disodium salt, heptahydrate (9CI), Pemetrexed disodium heptahydrate,L-Glutamic acid, N-[4-[2-(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-, sodium salt, hydrate (1:2:7)
IUPAC Name	disodium;(2S)-2-[[4-[2-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioate;heptahydrate
Molecular Weight	597.48
Molecular Formula	C20H19N5O6.2Na.7H2O
Canonical SMILES	O.O.O.O.O.O.O.[Na+].[Na+].NC1=NC(=O)c2c(CCc3ccc(cc3)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])c[nH]c2N1
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

Accurate Mass	597.187
API Family	Matrix - API Family See respective official monograph(s)
Format	Mixture
Product Type	Other
Shipping	Room Temperature
Storage Conditions	2-8°C Fridge/Coldroom
Subcategory	European Pharmacopoeia (Ph. Eur.)

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