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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-Methylbenzenesulfonate / CAS : 165049-28-5
| Appearance | Off-White to Pale Brown Solid | UN | 0 |
| HS | 29420000 | DG Class | 0 |
| Synonyms | (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; N-[4-[2-(2-Amino-4,7-Dihydro-4-Oxo-3H-Pyrrolo[2,3-D]Pyrimidin-5-Yl)Ethyl]Benzoyl]L-Glutamic 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-Ethylbenzene Sulfonate; (S)-Diethyl 2-(4-(2-(2-Amino-4-Oxo-4,7-Dihydro-3H-Pyrrolo[2,3-D]Pyrimidin-5-Yl)Ethyl)Benzamido)Pe; Pemetrexed Disodium Int-5; 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); Benzamido) | ||
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Properties
Summary
Formula
C24H29N5O6.C7H8O3S
Molecular Mass
655.725
Exact Mass
655.23100
PSA
232.01000
Logp
4.91800
IUPAC
diethyl (2S)-2-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioate;4-methylbenzenesulfonic acid
SMILES
CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)CCC2=CNC3=C2C(=O)NC(=N3)N.CC1=CC=C(C=C1)S(=O)(=O)O
Attribute classification
Matter Classification
organic
Category
API & Intermediate > Pharmaceutical Intermediates
Chemical and Physical Properties
Melting Point
>237ºC (dec.)
Appearance
Off-White to Pale Brown Solid
Export information
HS Code
29420000
Export Rebate
13%
UN No.
0
DG-Class
0
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