N-METHYL PEMETREXED

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 Search

SMILES

CN1C2=C(C(CCC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)=CN2)C(=O)N=C1N

InChI

InChIKey=JKULRGFPYBAJTE-AWEZNQCLSA-N

InChI=1S/C21H23N5O6/c1-26-17-16(19(30)25-21(26)22)13(10-23-17)7-4-11-2-5-12(6-3-11)18(29)24-14(20(31)32)8-9-15(27)28/h2-3,5-6,10,14,23H,4,7-9H2,1H3,(H,24,29)(H,27,28)(H,31,32)(H2,22,25,30)/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 13:19:12 GMT 2025` Edited by `admin` on `Wed Apr 02 13:19:12 GMT 2025`
Record UNII	QDJ47U4SYL
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PEMETREXED DISODIUM HEPTAHYDRATE IMPURITY A [EP IMPURITY]

Preferred Name

English

N-METHYL PEMETREXED

Common Name

English

(S)-2-(4-(2-(2-IMINO-1-METHYL-4-OXO-2,3,4,7-TETRAHYDRO-1H-PYRROLO(2,3-D)PYRIMIDIN-5-YL)ETHYL)BENZAMIDO)PENTANEDIOIC ACID

Systematic Name

English

(2S)-2-((4-(2-(2-AMINO-1-METHYL-4-OXO-4,7-DIHYDRO-1H-PYRROLO(2,3-D)PYRIMIDIN-5-YL)ETHYL)BENZOYL)AMINO)-PENTANEDIOIC ACID

Systematic Name

English

(4-(2-(2-AMINO-1-METHYL-4-OXO-4,7-DIHYDRO-1H-PYRROLO(2,3-D)PYRIMIDIN-5-YL)ETHYL)BENZOYL)-L-GLUTAMIC ACID

Systematic Name

English

L-GLUTAMIC ACID, N-(4-(2-(2-AMINO-4,7-DIHYDRO-1-METHYL-4-OXO-1H-PYRROLO(2,3-D)PYRIMIDIN-5-YL)ETHYL)BENZOYL)-

Systematic Name

English

N-(4-(2-(2-AMINO-4,7-DIHYDRO-1-METHYL-4-OXO-1H-PYRROLO(2,3-D)PYRIMIDIN-5-YL)ETHYL)BENZOYL)-L-GLUTAMIC ACID

Systematic Name

English

Code System Code Type Description

PUBCHEM

91974867

Created by admin on Wed Apr 02 13:19:12 GMT 2025 , Edited by admin on Wed Apr 02 13:19:12 GMT 2025

PRIMARY

CAS

869791-42-4

Created by admin on Wed Apr 02 13:19:12 GMT 2025 , Edited by admin on Wed Apr 02 13:19:12 GMT 2025

PRIMARY

FDA UNII

QDJ47U4SYL

Created by admin on Wed Apr 02 13:19:12 GMT 2025 , Edited by admin on Wed Apr 02 13:19:12 GMT 2025

PRIMARY

Related Record Type Details


					9T47E4OM16

PEMETREXED DISODIUM HEPTAHYDRATE

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount:


					9T47E4OM16

PEMETREXED DISODIUM HEPTAHYDRATE

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

USP

Amount: