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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H22N5O6.Na
Molecular Weight 463.419
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Pemetrexed methyl ester sodium

SMILES

[Na+].COC(=O)[C@H](CCC([O-])=O)NC(=O)C1=CC=C(CCC2=CNC3=C2C(=O)N=C(N)N3)C=C1

InChI

InChIKey=ZLKXXVYJMUPVOU-UQKRIMTDSA-M
InChI=1S/C21H23N5O6.Na/c1-32-20(31)14(8-9-15(27)28)24-18(29)12-5-2-11(3-6-12)4-7-13-10-23-17-16(13)19(30)26-21(22)25-17;/h2-3,5-6,10,14H,4,7-9H2,1H3,(H,24,29)(H,27,28)(H4,22,23,25,26,30);/q;+1/p-1/t14-;/m0./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
Pemetrexed methyl ester sodium
Common Name English
L-Glutamic acid, N-[4-[2-(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-, 1-methyl ester, sodium salt (1:1)
Systematic Name English
Pemetrexed Monomethyl Ester Impurity 1
Common Name English
Code System Code Type Description
CAS
1265908-61-9
Created by admin on Sat Dec 16 20:19:09 GMT 2023 , Edited by admin on Sat Dec 16 20:19:09 GMT 2023
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FDA UNII
H8DYK2E2HJ
Created by admin on Sat Dec 16 20:19:09 GMT 2023 , Edited by admin on Sat Dec 16 20:19:09 GMT 2023
PRIMARY