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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H25N5O6
Molecular Weight 455.4638
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Pemetrexed Dimethyl Ester, S-

SMILES

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

InChI

InChIKey=WWYZIXUUERDREV-HNNXBMFYSA-N
InChI=1S/C22H25N5O6/c1-32-16(28)10-9-15(21(31)33-2)25-19(29)13-6-3-12(4-7-13)5-8-14-11-24-18-17(14)20(30)27-22(23)26-18/h3-4,6-7,11,15H,5,8-10H2,1-2H3,(H,25,29)(H4,23,24,26,27,30)/t15-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
Pemetrexed Dimethyl Ester, S-
Common Name English
Pemetrexed Methyl Ester
Common Name English
Pemetrexed Dimethyl Ester
Common Name English
(S)-Dimethyl 2-(4-(2-(2-imino-4-oxo-2,3,4,7-tetrahydro-1H-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-dimethyl 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]-, dimethyl ester
Systematic Name English
1,5-Dimethyl N-[4-[2-(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-L-glutamate
Systematic 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-dimethyl ester
Systematic Name English
Code System Code Type Description
CAS
155405-81-5
Created by admin on Sat Dec 16 19:48:58 GMT 2023 , Edited by admin on Sat Dec 16 19:48:58 GMT 2023
PRIMARY
PUBCHEM
136120839
Created by admin on Sat Dec 16 19:48:58 GMT 2023 , Edited by admin on Sat Dec 16 19:48:58 GMT 2023
PRIMARY
FDA UNII
M95QXL9U8J
Created by admin on Sat Dec 16 19:48:58 GMT 2023 , Edited by admin on Sat Dec 16 19:48:58 GMT 2023
PRIMARY