Products 1417656-72-4

CAS 1417656-72-4 is the registry number for Pemetrexed Impurity 33. Offered by: Chemat Brand. Available pack sizes: on request.

Pemetrexed Impurity 33
Chemat Brand
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  • Variants: 1
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Structural formula: {0} (CAS {1})

(2R)-2-[[4-[2-(2-amino-5,6-dihydroxy-1-oxido-4-oxo-6,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-1-ium-5-yl)ethyl]benzoyl]amino]pentanedioic acid (CAS 1417656-72-4) is a chemical compound with the molecular formula C20H23N5O9 and a molecular weight of 477.4 g/mol. IUPAC name: (2R)-2-[[4-[2-(2-amino-5,6-dihydroxy-1-oxido-4-oxo-6,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-1-ium-5-yl)ethyl]benzoyl]amino]pentanedioic acid. InChIKey: NPAUOPVSQZARJG-PHINPVJKSA-N.

Identity
Molecular formulaC20H23N5O9
Molecular weight477.4 g/mol
IUPAC name(2R)-2-[[4-[2-(2-amino-5,6-dihydroxy-1-oxido-4-oxo-6,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-1-ium-5-yl)ethyl]benzoyl]amino]pentanedioic acid
InChIKeyNPAUOPVSQZARJG-PHINPVJKSA-N
SMILESC1=CC(=CC=C1CCC2(C(NC3=C2C(=O)NC(=[N+]3[O-])N)O)O)C(=O)N[C@H](CCC(=O)O)C(=O)O

Computed by PubChem (NCBI)