Chemical Compound

(2S,2'S)-2,2'-((4,4'-(((R)-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

CAS Registry Number 1802552-04-0
(2S,2'S)-2,2'-((4,4'-(((R)-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 结构式
Primary record

(2S,2'S)-2,2'-((4,4'-(((R)-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

库存
5,098 克
纯度
98.4 %
CAS
1802552-04-0

化合物标识与属性

CAS
1802552-04-0
PubChem CID
140309529
SMILES
C1=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
Canonical SMILES
Nc1nc2c(c(=O)[nH]1)[C@](CCc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)(c1[nH]c3nc(N)[nH]c(=O)c3c1CCc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)C(=O)N2

名称与同义词

  • Pemetrexed R dimer
  • Pemetrexed EP Impurity B
  • HJB5G3T2A4
  • UNII-HJB5G3T2A4
  • (R)-Pemetrexed EP Isomer
  • SCHEMBL23332235
  • 1802552-04-0
  • Pemetrexed disodium heptahydrate impurity B [EP]
  • (2S,2'S)-2,2'-((4,4'-(((R)-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
  • PEMETREXED DISODIUM HEPTAHYDRATE IMPURITY B [EP IMPURITY]
  • (2S,2'S)-2,2'-(((5R)-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'-((4,4'-(((R)-2,2'-diamino-4,4',6-trioxo-4,4',5,6,7,7'-hexahydro-1H,1'H-[5,6'-bipyrrolo[2,3-d]pyrimidine]-5,5'-diyl)bis(ethane-2,1-diyl))bis(benzoyl))bis(azanediyl))dipentanedioic acid
  • (2S,2'S)-2,2'-((4,4'-(((R)-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))dipentanedioicacid