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

Details

Stereochemistry MIXED
Molecular Formula C20H23N5O9
Molecular Weight 477.4247
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-[4-[2-(2-Amino-4,5,6,7-tetrahydro-1,5,6-trihydroxy-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-D-glutamic acid

SMILES

NC1=NC(=O)C2=C(NC(O)C2(O)CCC3=CC=C(C=C3)C(=O)N[C@H](CCC(O)=O)C(O)=O)N1O

InChI

InChIKey=DJDJHAJXZKQWJY-PHINPVJKSA-N
InChI=1S/C20H23N5O9/c21-19-24-16(29)13-14(25(19)34)23-18(32)20(13,33)8-7-9-1-3-10(4-2-9)15(28)22-11(17(30)31)5-6-12(26)27/h1-4,11,18,23,32-34H,5-8H2,(H,22,28)(H,26,27)(H,30,31)(H2,21,24,29)/t11-,18?,20?/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
N-[4-[2-(2-Amino-4,5,6,7-tetrahydro-1,5,6-trihydroxy-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-D-glutamic acid
Systematic Name English
Pemetrexed Impurity 33
Common Name English
D-Glutamic acid, N-[4-[2-(2-amino-4,5,6,7-tetrahydro-1,5,6-trihydroxy-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]
Systematic Name English
Code System Code Type Description
CAS
1417656-72-4
Created by admin on Sat Dec 16 20:17:17 GMT 2023 , Edited by admin on Sat Dec 16 20:17:17 GMT 2023
PRIMARY
FDA UNII
Z6N8SSZ4YL
Created by admin on Sat Dec 16 20:17:17 GMT 2023 , Edited by admin on Sat Dec 16 20:17:17 GMT 2023
PRIMARY