Pemetrexed monomethyl ester

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

Structure Search

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 `Wed Apr 02 18:54:59 GMT 2025` Edited by `admin` on `Wed Apr 02 18:54:59 GMT 2025`
Record UNII	QM4R3QZ9DL
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Pemetrexed-1-methyl Ester

Preferred Name

English

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

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 Wed Apr 02 18:54:59 GMT 2025 , Edited by admin on Wed Apr 02 18:54:59 GMT 2025

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CAS

1265908-63-1

Created by admin on Wed Apr 02 18:54:59 GMT 2025 , Edited by admin on Wed Apr 02 18:54:59 GMT 2025

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PUBCHEM

136598415

Created by admin on Wed Apr 02 18:54:59 GMT 2025 , Edited by admin on Wed Apr 02 18:54:59 GMT 2025

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