Products 1802552-16-4

CAS 1802552-16-4 appears in our catalog under these names: Pemetrexed EP Impurity C, (2S,2'S)-2,2'-((4,4'-(((S)-2,2'-Diamino-4,4',6-trioxo-4,4',5,6,7,7'-hexahydro-3H,3'H-[5,6'-bipyrrolo[2,3-d]pyrimidine]-5,5'-diyl)bis(ethane-2,1-diyl))bis(benzoyl))bis(azanediyl))dipentanedioic acid, 95%, Pemetrexed impurity C. Offered by: Chemat Brand, Biosynth. Available pack sizes: on request, 5mg, 1mg, 10mg.

Pemetrexed EP Impurity C
Chemat Brand
  • size: on request
  • Variants: 2
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(2S,2'S)-2,2'-((4,4'-(((S)-2,2'-Diamino-4,4',6-trioxo-4,4',5,6,7,7'-hexahydro-3H,3'H-[5,6'-bipyrrolo[2,3-d]pyrimidine]-5,5'-diyl)bis(ethane-2,1-diyl))bis(benzoyl))bis(azanediyl))dipentanedioic acid, 95%
Chemat Brand
  • size: on request
  • Variants: 1
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Pemetrexed impurity C
Biosynth
  • size: 5mg, 1mg, 10mg
  • Variants: 3
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(2S)-2-[[4-[2-[2-amino-6-[(5S)-2-amino-5-[2-[4-[[(1S)-1,3-dicarboxypropyl]carbamoyl]phenyl]ethyl]-4,6-dioxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl]-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl]ethyl]benzoyl]amino]pentanedioic acid (CAS 1802552-16-4) is a chemical compound with the molecular formula C40H40N10O13 and a molecular weight of 868.8 g/mol. IUPAC name: (2S)-2-[[4-[2-[2-amino-6-[(5S)-2-amino-5-[2-[4-[[(1S)-1,3-dicarboxypropyl]carbamoyl]phenyl]ethyl]-4,6-dioxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl]-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl]ethyl]benzoyl]amino]pentanedioic acid. InChIKey: MYCCYMLLSPAQLR-DENHUSMCSA-N.

Identity
Molecular formulaC40H40N10O13
Molecular weight868.8 g/mol
IUPAC name(2S)-2-[[4-[2-[2-amino-6-[(5S)-2-amino-5-[2-[4-[[(1S)-1,3-dicarboxypropyl]carbamoyl]phenyl]ethyl]-4,6-dioxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl]-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl]ethyl]benzoyl]amino]pentanedioic acid
InChIKeyMYCCYMLLSPAQLR-DENHUSMCSA-N
SMILESC1=CC(=CC=C1CCC2=C(NC3=C2C(=O)NC(=N3)N)[C@@]4(C5=C(NC4=O)N=C(NC5=O)N)CCC6=CC=C(C=C6)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O

Computed by PubChem (NCBI)

Synonyms: Pemetrexed EP Impurity C, Pemetrexed S dimer, Pemetrexed impurity C, Pemetrexed disodium heptahydrate impurity C [EP], PEMETREXED DISODIUM HEPTAHYDRATE IMPURITY C [EP IMPURITY]
Related forms of this compound
(2S)-2-[[4-[2-[2-amino-6-[(5R)-2-amino-5-[2-[4-[[(1S)-1,3-dicarboxypropyl]carbamoyl]phenyl]ethyl]-4,6-dioxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl]-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl]ethyl]benzoyl]amino]pentanedioic acid C40H40N10O13