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

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

Structure Search

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

Molecular Formula	C20H23N5O9
Molecular Weight	477.4247
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	1 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 18:46:25 GMT 2025` Edited by `admin` on `Wed Apr 02 18:46:25 GMT 2025`
Record UNII	Z6N8SSZ4YL
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Pemetrexed Impurity 33

Preferred Name

English

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

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 Wed Apr 02 18:46:25 GMT 2025 , Edited by admin on Wed Apr 02 18:46:25 GMT 2025

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FDA UNII

Z6N8SSZ4YL

Created by admin on Wed Apr 02 18:46:25 GMT 2025 , Edited by admin on Wed Apr 02 18:46:25 GMT 2025

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