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

1433213 - Overview - Compound Synopsis

Synonyms
ABITREXATEAbitrexate
FOLEXFOLEX PFS
FolexFolex Pfs
METHOTREXATE LPFMETHOTREXATE SODIUM
MEXATEMEXATE-AQ
MEXATE-AQ PRESERVEDMethotrexate Lpf
Methotrexate SodiumMethotrexate sodium
MexateMexate-Aq
Mexate-Aq PreservedTREXALL
Trexall
Molecular Formula
C20H21N8NaO5
InChI
InChI=1S/C20H22N8O5.Na/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;+1/p-1/t13-;/m0./s1
Smiles
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)O)cc1.[Na+]
Cross References
UniChem1096279
canSAR1433213
ChEMBLCHEMBL2096644
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 476.153260052-4.062361355No


Compound Lineages


Dosed Drug / Tested Compound(s)Free Compound Form(s)Active Form(s)







Dosed Drug / Tested Compound(s)Free Compound Form(s)Active Form(s)