Products 869791-47-9

CAS 869791-47-9 appears in our catalog under these names: Pemetrexed Impurity 72, Pemetrexed Impurity 45. Offered by: Chemat Brand. Available pack sizes: on request.

Pemetrexed Impurity 72
Chemat Brand
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  • Variants: 1
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Pemetrexed Impurity 45
Chemat Brand
  • size: on request
  • Variants: 1
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Structural formula: {0} (CAS {1})

Methyl 4-[2-(2-amino-1-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoate (CAS 869791-47-9) is a chemical compound with the molecular formula C17H18N4O3 and a molecular weight of 326.35 g/mol. IUPAC name: methyl 4-[2-(2-amino-1-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoate. InChIKey: YFZYHNJFWQQPCB-UHFFFAOYSA-N.

Identity
Molecular formulaC17H18N4O3
Molecular weight326.35 g/mol
IUPAC namemethyl 4-[2-(2-amino-1-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoate
InChIKeyYFZYHNJFWQQPCB-UHFFFAOYSA-N
SMILESCN1C2=C(C(=CN2)CCC3=CC=C(C=C3)C(=O)OC)C(=O)N=C1N

Computed by PubChem (NCBI)

Synonyms: Pemetrexed Impurity 72
Isomers (same molecular formula)
3-[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]benzoic acid C17H18N4O3
1-[[2-(furan-2-yl)imidazo[1,2-a]pyrimidin-3-yl]methyl]piperidine-4-carboxylic acid C17H18N4O3
1-ethyl-6-[(4-nitrophenyl)diazenyl]-3,4-dihydro-2H-quinolin-7-ol C17H18N4O3