pemetrexed (alimta) Report issue

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Chemistry

Mol. Mass

471.38

ALogP

0.67

Rule of 5

No

Rule of 3

No
Details
  • SMILES: [Na+].[Na+].NC1=Nc2[nH]cc(CCc3ccc(cc3)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])c2C(=O)N1
  • InChIKey: NYDXNILOWQXUOF-GXKRWWSZSA-L
    InChI=1S/C20H21N5O6.2Na/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27;;/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29);;/q;2*+1/p-2/t13-;;/m0../s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL2360464   ChEMBL

CHEMBL1200373   ChEMBL
pemetrexed disodium

CHEMBL1201258   ChEMBL

CHEMBL225072   ChEMBL
pemetrexed

04Q9AIZ7NO   NCATS
pemetrexed *

Pemetrexed   Wikipedia

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