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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H29N5O6
Molecular Weight 483.517
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Pemetrexed diethyl ester

SMILES

CCOC(=O)CC[C@H](NC(=O)C1=CC=C(CCC2=CNC3=C2C(=O)N=C(N)N3)C=C1)C(=O)OCC

InChI

InChIKey=DEJAOZLLEHXUBF-KRWDZBQOSA-N
InChI=1S/C24H29N5O6/c1-3-34-18(30)12-11-17(23(33)35-4-2)27-21(31)15-8-5-14(6-9-15)7-10-16-13-26-20-19(16)22(32)29-24(25)28-20/h5-6,8-9,13,17H,3-4,7,10-12H2,1-2H3,(H,27,31)(H4,25,26,28,29,32)/t17-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
Pemetrexed diethyl ester
Common Name English
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
Systematic Name English
(S)-Diethyl 2-(4-(2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzamido)pentanedioate
Systematic 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]-, 1,5-diethyl ester
Systematic Name English
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
Systematic Name English
Code System Code Type Description
FDA UNII
JXT4RDT5JY
Created by admin on Sat Dec 16 20:13:19 GMT 2023 , Edited by admin on Sat Dec 16 20:13:19 GMT 2023
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CAS
146943-43-3
Created by admin on Sat Dec 16 20:13:19 GMT 2023 , Edited by admin on Sat Dec 16 20:13:19 GMT 2023
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PUBCHEM
135487707
Created by admin on Sat Dec 16 20:13:19 GMT 2023 , Edited by admin on Sat Dec 16 20:13:19 GMT 2023
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