Products 229470-22-8

CAS 229470-22-8 is the registry number for Pemetrexed Impurity 3. Offered by: Chemat Brand. Available pack sizes: on request.

Pemetrexed Impurity 3
Chemat Brand
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  • Variants: 1
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Structural formula: {0} (CAS {1})

Ethyl 4-[3-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-4-nitrobutyl]benzoate (CAS 229470-22-8) is a chemical compound with the molecular formula C17H21N5O5 and a molecular weight of 375.4 g/mol. IUPAC name: ethyl 4-[3-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-4-nitrobutyl]benzoate. InChIKey: ACCKNCOTHFSBAG-UHFFFAOYSA-N.

Identity
Molecular formulaC17H21N5O5
Molecular weight375.4 g/mol
IUPAC nameethyl 4-[3-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-4-nitrobutyl]benzoate
InChIKeyACCKNCOTHFSBAG-UHFFFAOYSA-N
SMILESCCOC(=O)C1=CC=C(C=C1)CCC(C[N+](=O)[O-])C2=C(N=C(NC2=O)N)N

Computed by PubChem (NCBI)

Synonyms: Ethyl 4-[3-(2,4-diamino-1,6-dihydro-6-oxo-5-pyrimidinyl)-4-nitrobutyl]benzoate