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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H24N8O5
Molecular Weight 468.4659
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHOTREXATE 5-METHYL ESTER

SMILES

COC(=O)CC[C@H](NC(=O)C1=CC=C(C=C1)N(C)CC2=NC3=C(N)N=C(N)N=C3N=C2)C(O)=O

InChI

InChIKey=RYGFOBBTCUXHBB-AWEZNQCLSA-N
InChI=1S/C21H24N8O5/c1-29(10-12-9-24-18-16(25-12)17(22)27-21(23)28-18)13-5-3-11(4-6-13)19(31)26-14(20(32)33)7-8-15(30)34-2/h3-6,9,14H,7-8,10H2,1-2H3,(H,26,31)(H,32,33)(H4,22,23,24,27,28)/t14-/m0/s1

HIDE SMILES / InChI

Approval Year

Patents

Patents

Name Type Language
METHOTREXATE 5-METHYL ESTER
Common Name English
(2S)-2-((4-(((2,4-DIAMINOPTERIDIN-6-YL)METHYL)METHYLAMINO)BENZOYL)AMINO)-5-METHOXY-5-OXOPENTANOIC ACID
Systematic Name English
METHOTREXATE IMPURITY H [EP IMPURITY]
Common Name English
METHOTREXATE RELATED COMPOUND H [USP IMPURITY]
Common Name English
METHOTREXATE RELATED COMPOUND H
USP  
Common Name English
L-GLUTAMIC ACID, N-(4-(((2,4-DIAMINO-6-PTERIDINYL)METHYL)METHYLAMINO)BENZOYL)-, 5-METHYL ESTER
Systematic Name English
Code System Code Type Description
PUBCHEM
14537265
Created by admin on Sat Dec 16 07:57:13 GMT 2023 , Edited by admin on Sat Dec 16 07:57:13 GMT 2023
PRIMARY
FDA UNII
98597RH43H
Created by admin on Sat Dec 16 07:57:13 GMT 2023 , Edited by admin on Sat Dec 16 07:57:13 GMT 2023
PRIMARY
CAS
67022-39-3
Created by admin on Sat Dec 16 07:57:13 GMT 2023 , Edited by admin on Sat Dec 16 07:57:13 GMT 2023
PRIMARY