Products 1644287-26-2

CAS 1644287-26-2 is the registry number for (2S)-2-(4-(2-(5-Amino-2-hydroxy-7-oxo-1a,2,3,7-tetrahydrooxireno[2',3':3,4]pyrrolo[2,3-d]pyrimidin-1a-yl)ethyl)benzamido)pentanedioic acid, 95%. Offered by: Chemat Brand. Available pack sizes: on request.

(2S)-2-(4-(2-(5-Amino-2-hydroxy-7-oxo-1a,2,3,7-tetrahydrooxireno[2',3':3,4]pyrrolo[2,3-d]pyrimidin-1a-yl)ethyl)benzamido)pentanedioic acid, 95%
Chemat Brand
  • size: on request
  • Variants: 1
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Structural formula: {0} (CAS {1})

(2S)-2-[[4-[2-(8-amino-4-hydroxy-10-oxo-2-oxa-5,7,9-triazatricyclo[4.4.0.01,3]deca-5,7-dien-3-yl)ethyl]benzoyl]amino]pentanedioic acid (CAS 1644287-26-2) is a chemical compound with the molecular formula C20H21N5O8 and a molecular weight of 459.4 g/mol. IUPAC name: (2S)-2-[[4-[2-(8-amino-4-hydroxy-10-oxo-2-oxa-5,7,9-triazatricyclo[4.4.0.01,3]deca-5,7-dien-3-yl)ethyl]benzoyl]amino]pentanedioic acid. InChIKey: XULBIWINEIWBLL-KPGKVIANSA-N.

Identity
Molecular formulaC20H21N5O8
Molecular weight459.4 g/mol
IUPAC name(2S)-2-[[4-[2-(8-amino-4-hydroxy-10-oxo-2-oxa-5,7,9-triazatricyclo[4.4.0.01,3]deca-5,7-dien-3-yl)ethyl]benzoyl]amino]pentanedioic acid
InChIKeyXULBIWINEIWBLL-KPGKVIANSA-N
SMILESC1=CC(=CC=C1CCC23C(N=C4C2(O3)C(=O)NC(=N4)N)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O

Computed by PubChem (NCBI)

Synonyms: Pemetrexed Impurity 39
Isomers (same molecular formula)
(2S)-2-[[4-[2-(2-amino-5-hydroxy-4,6-dioxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioic acid C20H21N5O8
(2S)-2-[[4-[3-(2-amino-4-formamido-6-oxo-1H-pyrimidin-5-yl)-3-oxopropyl]benzoyl]amino]pentanedioic acid C20H21N5O8