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Details

Stereochemistry RACEMIC
Molecular Formula C20H22N8O5
Molecular Weight 454.4393
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHOTREXATE, (±)-

SMILES

CN(CC1=NC2=C(N)N=C(N)N=C2N=C1)C3=CC=C(C=C3)C(=O)NC(CCC(O)=O)C(O)=O

InChI

InChIKey=FBOZXECLQNJBKD-UHFFFAOYSA-N
InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)

HIDE SMILES / InChI

Approval Year

Name Type Language
METHOTREXATE, (±)-
Common Name English
DL-METHOTREXATE
Common Name English
DL-AMETHOPTERIN
Common Name English
DL-GLUTAMIC ACID, N-(4-(((2,4-DIAMINO-6-PTERIDINYL)METHYL)METHYLAMINO)BENZOYL)-
Systematic Name English
NSC-757113
Code English
NSC-117356
Code English
N-(4-(((2,4-DIAMINO-6-PTERIDINYL)METHYL)METHYLAMINO)BENZOYL)GLUTAMIC ACID
Systematic Name English
(±)-METHOTREXATE
Common Name English
GLUTAMIC ACID, N-(4-(((2,4-DIAMINO-6-PTERIDINYL)METHYL)METHYLAMINO)BENZOYL)-
Systematic Name English
Code System Code Type Description
PUBCHEM
4112
Created by admin on Sat Dec 16 02:18:31 GMT 2023 , Edited by admin on Sat Dec 16 02:18:31 GMT 2023
PRIMARY
CAS
60388-53-6
Created by admin on Sat Dec 16 02:18:31 GMT 2023 , Edited by admin on Sat Dec 16 02:18:31 GMT 2023
PRIMARY
EPA CompTox
DTXSID40859034
Created by admin on Sat Dec 16 02:18:31 GMT 2023 , Edited by admin on Sat Dec 16 02:18:31 GMT 2023
PRIMARY
NSC
757113
Created by admin on Sat Dec 16 02:18:31 GMT 2023 , Edited by admin on Sat Dec 16 02:18:31 GMT 2023
PRIMARY
ECHA (EC/EINECS)
262-213-7
Created by admin on Sat Dec 16 02:18:31 GMT 2023 , Edited by admin on Sat Dec 16 02:18:31 GMT 2023
PRIMARY
NSC
117356
Created by admin on Sat Dec 16 02:18:31 GMT 2023 , Edited by admin on Sat Dec 16 02:18:31 GMT 2023
PRIMARY
FDA UNII
99ITO15X8S
Created by admin on Sat Dec 16 02:18:31 GMT 2023 , Edited by admin on Sat Dec 16 02:18:31 GMT 2023
PRIMARY