CAS Number
Molecular Formula
C40H40N10O13
Product format
Neat
Molecular Weight
868.82
API Family
Synonyms
1802552-04-0; Pemetrexed EP Impurity B; Pemetrexed R dimer; HJB5G3T2A4; (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; (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; UNII-HJB5G3T2A4; SCHEMBL23332235; Pemetrexed disodium heptahydrate impurity B [EP]; PEMETREXED DISODIUM HEPTAHYDRATE IMPURITY B [EP IMPURITY]; (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 and 1-diyl))bis(benzoyl))bis(azanediyl))dipentanedioicacid
Iupac Name
(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 and 3-d]pyrimidin-5-yl]ethyl]benzoyl]amino]pentanedioic acid
InChI
InChI=1S/C40H40N10O13/c41-38-47-29-26(33(57)49-38)21(10-5-17-1-6-19(7-2-17)31(55)43-22(35(59)60)11-13-24(51)52)28(45-29)40(27-30(46-37(40)63)48-39(42)50-34(27)58)16-15-18-3-8-20(9-4-18)32(56)44-23(36(61)62)12-14-25(53)54/h1-4,6-9,22-23H,5,10-16H2,(H,43,55)(H,44,56)(H,51,52)(H,53,54)(H,59,60)(H,61,62)(H4,41,45,47,49,57)(H4,42,46,48,50,58,63)/t22-,23-,40+/m0/s1
