API reference

Pemetrexed disodium hemipentahydrate

CAS number
357166-30-4
Molecular formula
C40H48N10Na4O17
Molecular weight
1,032.8 g/mol
Pemetrexed disodium hemipentahydrate — 2D structure
2D structure (PubChem)

Identifiers

IUPAC name
tetrasodium;bis((2S)-2-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioate);pentahydrate
InChIKey
ZCTCZKWJFTYNMZ-WKUCUCPSSA-J
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+]
PubChem CID
135564527

Also known as

Pemetrexed disodium hemipentahydrate · Pemetrexed disodium 2.5 hydrate · Pemetrexed sodium hydrate (2:4:5) · PEMETREXED SODIUM HEMIPENTAHYDRATE · PEMETREXED DISODIUM 2.5-HYDRATE (EP MONOGRAPH) · Pemetrexed accord · PEMRYDI RTU · Pemetrexed disodium hydrate

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