Pemetrexed Dimethyl Ester, S-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H25N5O6
Molecular Weight	455.4638
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Pemetrexed Dimethyl Ester, S-

Structure Search

SMILES

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

InChI

InChIKey=WWYZIXUUERDREV-HNNXBMFYSA-N

InChI=1S/C22H25N5O6/c1-32-16(28)10-9-15(21(31)33-2)25-19(29)13-6-3-12(4-7-13)5-8-14-11-24-18-17(14)20(30)27-22(23)26-18/h3-4,6-7,11,15H,5,8-10H2,1-2H3,(H,25,29)(H4,23,24,26,27,30)/t15-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C22H25N5O6
Molecular Weight	455.4638
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 17:20:49 GMT 2025` Edited by `admin` on `Wed Apr 02 17:20:49 GMT 2025`
Record UNII	M95QXL9U8J
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Pemetrexed Dimethyl Ester

Preferred Name

English

Pemetrexed Dimethyl Ester, S-

Common Name

English

Pemetrexed Methyl Ester

Common Name

English

(S)-Dimethyl 2-(4-(2-(2-imino-4-oxo-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzamido)pentanedioate

Systematic 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]-, 1,5-dimethyl ester

Systematic Name

English

L-Glutamic acid, N-[4-[2-(2-amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-, dimethyl ester

Systematic Name

English

1,5-Dimethyl 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

N-[4-[2-(2-Amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-L-glutamic acid 1,5-dimethyl ester

Systematic Name

English

Code System Code Type Description

CAS

155405-81-5

Created by admin on Wed Apr 02 17:20:49 GMT 2025 , Edited by admin on Wed Apr 02 17:20:49 GMT 2025

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PUBCHEM

136120839

Created by admin on Wed Apr 02 17:20:49 GMT 2025 , Edited by admin on Wed Apr 02 17:20:49 GMT 2025

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FDA UNII

M95QXL9U8J

Created by admin on Wed Apr 02 17:20:49 GMT 2025 , Edited by admin on Wed Apr 02 17:20:49 GMT 2025

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EPA CompTox

DTXSID10692859

Created by admin on Wed Apr 02 17:20:49 GMT 2025 , Edited by admin on Wed Apr 02 17:20:49 GMT 2025

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