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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H23N5O6
Molecular Weight 441.4372
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-METHYL PEMETREXED

SMILES

[H][C@@](CCC(O)=O)(NC(=O)C1=CC=C(CCC2=CNC3=C2C(=O)N=C(N)N3C)C=C1)C(O)=O

InChI

InChIKey=JKULRGFPYBAJTE-AWEZNQCLSA-N
InChI=1S/C21H23N5O6/c1-26-17-16(19(30)25-21(26)22)13(10-23-17)7-4-11-2-5-12(6-3-11)18(29)24-14(20(31)32)8-9-15(27)28/h2-3,5-6,10,14,23H,4,7-9H2,1H3,(H,24,29)(H,27,28)(H,31,32)(H2,22,25,30)/t14-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
N-METHYL PEMETREXED
Common Name English
PEMETREXED DISODIUM HEPTAHYDRATE IMPURITY A [EP IMPURITY]
Common Name English
(S)-2-(4-(2-(2-IMINO-1-METHYL-4-OXO-2,3,4,7-TETRAHYDRO-1H-PYRROLO(2,3-D)PYRIMIDIN-5-YL)ETHYL)BENZAMIDO)PENTANEDIOIC ACID
Systematic Name English
(2S)-2-((4-(2-(2-AMINO-1-METHYL-4-OXO-4,7-DIHYDRO-1H-PYRROLO(2,3-D)PYRIMIDIN-5-YL)ETHYL)BENZOYL)AMINO)-PENTANEDIOIC ACID
Systematic Name English
(4-(2-(2-AMINO-1-METHYL-4-OXO-4,7-DIHYDRO-1H-PYRROLO(2,3-D)PYRIMIDIN-5-YL)ETHYL)BENZOYL)-L-GLUTAMIC ACID
Systematic Name English
L-GLUTAMIC ACID, N-(4-(2-(2-AMINO-4,7-DIHYDRO-1-METHYL-4-OXO-1H-PYRROLO(2,3-D)PYRIMIDIN-5-YL)ETHYL)BENZOYL)-
Systematic Name English
N-(4-(2-(2-AMINO-4,7-DIHYDRO-1-METHYL-4-OXO-1H-PYRROLO(2,3-D)PYRIMIDIN-5-YL)ETHYL)BENZOYL)-L-GLUTAMIC ACID
Systematic Name English
Code System Code Type Description
PUBCHEM
91974867
Created by admin on Sat Dec 16 19:01:37 GMT 2023 , Edited by admin on Sat Dec 16 19:01:37 GMT 2023
PRIMARY
CAS
869791-42-4
Created by admin on Sat Dec 16 19:01:37 GMT 2023 , Edited by admin on Sat Dec 16 19:01:37 GMT 2023
PRIMARY
FDA UNII
QDJ47U4SYL
Created by admin on Sat Dec 16 19:01:37 GMT 2023 , Edited by admin on Sat Dec 16 19:01:37 GMT 2023
PRIMARY