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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H21N5O8
Molecular Weight 459.4094
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-[4-[3-[2-Amino-4-(formylamino)-1,6-dihydro-6-oxo-5-pyrimidinyl]-3-oxopropyl]benzoyl]-L-glutamic acid

SMILES

NC1=NC(=O)C(C(=O)CCC2=CC=C(C=C2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)=C(NC=O)N1

InChI

InChIKey=ZQLFWLDXMXHPNR-LBPRGKRZSA-N
InChI=1S/C20H21N5O8/c21-20-24-16(22-9-26)15(18(31)25-20)13(27)7-3-10-1-4-11(5-2-10)17(30)23-12(19(32)33)6-8-14(28)29/h1-2,4-5,9,12H,3,6-8H2,(H,23,30)(H,28,29)(H,32,33)(H4,21,22,24,25,26,31)/t12-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
N-[4-[3-[2-Amino-4-(formylamino)-1,6-dihydro-6-oxo-5-pyrimidinyl]-3-oxopropyl]benzoyl]-L-glutamic acid
Systematic Name English
(2S)-2-[[4-[3-(2-Amino-4-formamido-6-oxo-1H-pyrimidin-5-yl)-3-oxopropyl]benzoyl]amino]pentanedioic acid
Systematic Name English
L-Glutamic acid, N-[4-[3-[2-amino-4-(formylamino)-1,6-dihydro-6-oxo-5-pyrimidinyl]-3-oxopropyl]benzoyl]-
Systematic Name English
Pemetrexed Open-Ring N-Formyl Keto Amine
Common Name English
Pemetrexed seco-indolone
Common Name English
Code System Code Type Description
FDA UNII
RLY95DB7FY
Created by admin on Sat Dec 16 19:49:25 GMT 2023 , Edited by admin on Sat Dec 16 19:49:25 GMT 2023
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PUBCHEM
145709349
Created by admin on Sat Dec 16 19:49:25 GMT 2023 , Edited by admin on Sat Dec 16 19:49:25 GMT 2023
PRIMARY
CAS
1644286-35-0
Created by admin on Sat Dec 16 19:49:25 GMT 2023 , Edited by admin on Sat Dec 16 19:49:25 GMT 2023
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