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165049-28-5

165049-28-5 Structure

165049-28-5 Structure
IdentificationBack Directory
[Name]

N-[4-[2-(2-Amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-L-glutamic acid 1,5-diethyl ester 4-methylbenzenesulfonate
[CAS]

165049-28-5
[Synonyms]

benzamido)
(S)-DiethyL
PeMetrexed disodiuM INT-5
)benzamido)pentanedioate 4-methyL
pentanedioate 4-methylbenzenesulfonate
2-(4-(2-(2-amino-4-oxo-4,7-dihydro-3H-pyrroL
etrexed Impurity 30(4-Methylbenzenesulfonate)
5-[2-(4-{[(1S)-4-ethoxy-1-(ethoxycarbonyl)-4-oxobutyl]carbam...
-Diethyl 2-(4-(2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)
(S)-Diethyl 2-(4-(2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzamido
N-[4-[2-(2-aMino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyriMidin-5-yl)ethyl]benzoyl]L-glutaMic acid
(S)-Diethyl 2-(4-(2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzamido)pe
N-[4-[2-(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]L-glutamic acid, 1,
(2S)-2-{[4-(2-{2-aMino-4-oxo-3H,4H,7H-pyrrolo[2,3-d]pyriMidin-5-yl}ethyl)phenyl]forMaMido}pentanedioic acid
Diethyl 2-(4-(2-(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzamido)pentanedioate 4-methylbenzenesulfonate
(S)-Diethyl 2-(4-(2-(2-aMino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyriMidin-5-yl)ethyl)benzaMido)pentanedioate 4-Methylbenzenesulfonate
iethyl(2S)-2-[[4-[2-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioate,4-methylbenzenesulfonicaci
(S)-Diethyl 2-(4-(2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzamido)pentanedioate 4-methylbenzenesulfonate,>95%
diethyl (2S)-2-[[4-[2-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioate,4-methylbenzenesulfonic acid
N-[4-[2-(2-Amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-L-glutamic acid 1,5-diethyl ester 4-methylbenzenesulfonate
N-[4-[2-(2-Amino-4,7-Dihydro-4-Oxo-3h-Pyrrolo[2,3- D]Pyrimidin-5-Yl)Ethyl]Benzoyl]-L-Glutamic Acid-1,5-Diethyl Ester 4-Ethylbenzene Sulfonate
L-Glutamic acid,N-[4-[2-(2-amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-, diethyl ester, mono(4-methylbenzenesulfonate)
N-[4-[2-(2-aMino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyriMidin-5-yl)ethyl]benzoyl]L-glutaMic acid, 1,5-diethyl ester, 4-Methylbenzenesulfonate (1:1)
N-[4-[2-(2-Amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-L-glutamic acid 1,5-diethyl ester 4-methylbenzenesulfonate USP/EP/BP
5-[2-(4-{[(1S)-4-ethoxy-1-(ethoxycarbonyl)-4-oxobutyl]carbaMoyl}phenyl)ethyl]-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyriMidin-2-aMiniuM 4-Methylbenzenesulfonate (non-preferred naMe)
[EINECS(EC#)]

605-383-3
[Molecular Formula]

C24H29N5O6.C7H8O3S
[MDL Number]

MFCD12911689
[MOL File]

165049-28-5.mol
[Molecular Weight]

655.725
Chemical PropertiesBack Directory
[Melting point ]

>237oC (dec.)
[storage temp. ]

Keep in dark place,Inert atmosphere,Room temperature
[solubility ]

Dichloromethane (Very Slightly), DMF (Slightly, Sonicated), DMSO (Slightly)
[form ]

Solid
[color ]

Off-White to Pale Brown
[InChIKey]

UANBXQTVHOIGGQ-VOPAOICTNA-N
[SMILES]

S(C1C=CC(C)=CC=1)(O)(=O)=O.C(C1=CNC2N=C(N)NC(=O)C1=2)CC1C=CC(C(=O)N[C@H](C(=O)OCC)CCC(=O)OCC)=CC=1 |&1:31,r|
Safety DataBack Directory
[REACH Registrations]

Active
Hazard InformationBack Directory
[Chemical Properties]

pink POWDER
[Uses]

N-[4-[2-(2-Amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-L-glutamic Acid, referred to as Pemetrexed, is used in the treatment of malignant pleural mesothelioma (MPM).
Spectrum DetailBack Directory
[Spectrum Detail]

N-[4-[2-(2-Amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-L-glutamic acid 1,5-diethyl ester 4-methylbenzenesulfonate(165049-28-5)1HNMR
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