1802552-16-4

Name PeMetrexed EP IMpurity C
CAS 1802552-16-4
Molecular Formula C40H40N10O13
Molecular Weight 868.82
MOL File 1802552-16-4.mol
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Chemical Properties

density  1.72±0.1 g/cm3(Predicted)
pka 3.58±0.10(Predicted)
InChIKey MYCCYMLLSPAQLR-NIERSSSYNA-N
SMILES C([C@]1(C2NC3NC(N)=NC(=O)C=3C=2CCC2C=CC(C(=O)N[C@H](C(=O)O)CCC(=O)O)=CC=2)C(NC2NC(N)=NC(=O)C1=2)=O)CC1C=CC(C(=O)N[C@H](C(=O)O)CCC(=O)O)=CC=1 |&1:1,22,52,r|

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