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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

Catalog No. :
ACACYV562
CAS No. :
1802552-16-4
Molecular Formula :
C40H40N10O13
Molecular Weight :
868.82

IUPAC Name:(2S,2'S)-2,2'-((4,4'-(((S)-2,2'-diamino-4,4',6-trioxo-3,4,4',6,7,7'-hexahydro-3'H,5H-[5,6'-bipyrrolo[2,3-d]pyrimidine]-5,5'-diyl)bis(ethane-2,1-diyl))bis(benzoyl))bis(azanediyl))diglutaric acid

(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 structure diagram
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Product Information

Product Name(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
IUPAC Name(2S,2'S)-2,2'-((4,4'-(((S)-2,2'-diamino-4,4',6-trioxo-3,4,4',6,7,7'-hexahydro-3'H,5H-[5,6'-bipyrrolo[2,3-d]pyrimidine]-5,5'-diyl)bis(ethane-2,1-diyl))bis(benzoyl))bis(azanediyl))diglutaric acid
Molecular FormulaC40H40N10O13
Molecular Weight868.82
SMILESO=C1C(C(CCC2=CC=C(C(N[C@@H](CCC(O)=O)C(O)=O)=O)C=C2)=C([C@](CCC3=CC=C(C(N[C@@H](CCC(O)=O)C(O)=O)=O)C=C3)(C4=C(N5)N=C(N)NC4=O)C5=O)N6)=C6N=C(N)N1
InChI KeyMYCCYMLLSPAQLR-DENHUSMCSA-N
SynonymPeMetrexed EP IMpurity C;(S)-Pemetrexed EP Isomer DISCONTINUED PLEASE SEE P219520;(2S,2''S)-2,2''-[[(5S)-2,2''-Diamino-4,4'',6-trioxo-1,4,4'',6,7,7''-hexahydro-1''H,5H-5,6''-bipyrrolo[2,3-d]pyrimidine-5,5''-diyl]bis(ethylenebenzene-4,1-diylcarbonylimino)]dipentanedioic Acid;(2S,2′S)-2,2′-[[(5S)-2,2′-diamino-4,4′,6-trioxo-1,4,4′,6,7,7′-hexahydro-1′H,5H-5,6′-bipyrrolo[2,3-d]pyrimidine-5,5′-diyl]bis(ethylenebenzene-4,1-diylcarbonylimino)]dipentanedioic acid (Pemetrexed Disodium Impurity）
CAS No.1802552-16-4

Synthetic Route by SureRoute

1. ACACYV562 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACACYV562 route product structure diagram
    ACACYV5621802552-16-4
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2. ACACYV562 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACACYV562 route product structure diagram
    ACACYV5621802552-16-4
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