Compound Synopsis
Compound Overview
Bioactivity Data Summary
Protein Affinity Profile
Cellline Sensitivity Profile

1382865 - Overview - Compound Synopsis

Synonyms
AbitrexateFolex
Folex PfsMETHOTREXATE SODIUM
Methotrexate LpfMethotrexate Sodium
MexateMexate-Aq
Mexate-Aq PreservedTrexall
Molecular Formula
C20H20N8Na2O5
InChI
InChI=1S/C20H22N8O5.2Na/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);;/q;2*+1/p-2/t13-;;/m0../s1
Smiles
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1.[Na+].[Na+]
Cross References
UniChem1105494
canSAR1382865
ChEMBLCHEMBL3244648
Commercially Available
Yes
Protein Targets


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 498.1352043-8.39351355Yes


Compounds with the same scaffold


Image of compound ID: 1382865
Murko Scaffold Family: 623 compoundsClick here to open a new canSAR search with these compounds

Maximum number shown here is 12





Compound Lineages


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