U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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 Pemetrexed monomethyl ester

SMILES

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

InChI

InChIKey=SMWFKBFNWHXOSN-AWEZNQCLSA-N
InChI=1S/C21H23N5O6/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)/t14-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H23N5O6
Molecular Weight 441.4372
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 20:19:12 GMT 2023
Edited
by admin
on Sat Dec 16 20:19:12 GMT 2023
Record UNII
QM4R3QZ9DL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Pemetrexed monomethyl ester
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
Systematic Name English
Pemetrexed-1-methyl Ester
Common Name English
1-Methyl hydrogen 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
Code System Code Type Description
FDA UNII
QM4R3QZ9DL
Created by admin on Sat Dec 16 20:19:12 GMT 2023 , Edited by admin on Sat Dec 16 20:19:12 GMT 2023
PRIMARY
CAS
1265908-63-1
Created by admin on Sat Dec 16 20:19:12 GMT 2023 , Edited by admin on Sat Dec 16 20:19:12 GMT 2023
PRIMARY
PUBCHEM
136598415
Created by admin on Sat Dec 16 20:19:12 GMT 2023 , Edited by admin on Sat Dec 16 20:19:12 GMT 2023
PRIMARY