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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H16N2O5
Molecular Weight 280.2765
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-[4-(Methylamino)benzoyl]-L-glutamic acid

SMILES

CNC1=CC=C(C=C1)C(=O)N[C@@H](CCC(O)=O)C(O)=O

InChI

InChIKey=UFBUCKLNZUNJHS-JTQLQIEISA-N
InChI=1S/C13H16N2O5/c1-14-9-4-2-8(3-5-9)12(18)15-10(13(19)20)6-7-11(16)17/h2-5,10,14H,6-7H2,1H3,(H,15,18)(H,16,17)(H,19,20)/t10-/m0/s1

HIDE SMILES / InChI
Molecular Formula C13H16N2O5
Molecular Weight 280.2765
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
149124
Substance Class Chemical
Created
by admin
on Mon Mar 31 21:52:11 GMT 2025
Edited
by admin
on Mon Mar 31 21:52:11 GMT 2025
Record UNII
G343E7DX5Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-[4-(Methylamino)benzoyl]-L-glutamic acid
Systematic Name English
NSC-138419
Preferred Name English
N-[p-(Methylamino)benzoyl]glutamic acid
Common Name English
L-GLUTAMIC ACID, N-(4-(METHYLAMINO)BENZOYL)-
Systematic Name English
METHOTREXATE IMPURITY L [EP IMPURITY]
Common Name English
(P-METHYLAMINOBENZOYL)-L-GLUTAMIC ACID
Systematic Name English
N-(P-(METHYLAMINO)BENZOYL)-L-GLUTAMIC ACID
Systematic Name English
Code System Code Type Description
CAS
52980-68-4
Created by admin on Mon Mar 31 21:52:11 GMT 2025 , Edited by admin on Mon Mar 31 21:52:11 GMT 2025
PRIMARY
FDA UNII
G343E7DX5Q
Created by admin on Mon Mar 31 21:52:11 GMT 2025 , Edited by admin on Mon Mar 31 21:52:11 GMT 2025
PRIMARY
EPA CompTox
DTXSID201267077
Created by admin on Mon Mar 31 21:52:11 GMT 2025 , Edited by admin on Mon Mar 31 21:52:11 GMT 2025
PRIMARY
NSC
138419
Created by admin on Mon Mar 31 21:52:11 GMT 2025 , Edited by admin on Mon Mar 31 21:52:11 GMT 2025
PRIMARY
PUBCHEM
97636
Created by admin on Mon Mar 31 21:52:11 GMT 2025 , Edited by admin on Mon Mar 31 21:52:11 GMT 2025
PRIMARY
Related Record Type Details
Structure of Zinc N-[4-(methylamino)benzoyl]-L-glutamate
SALT/SOLVATE -> PARENT
Related Record Type Details
Structure of METHOTREXATE
PARENT -> IMPURITY
UNSPECIFIED
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
NIH
NCATS
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