Name: Pemetrexed tromethamine
Rating: 5 (10 reviews)

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HIT ID:HIT212710658
Cas No:1851348-04-3
常用名:Pemetrexed tromethamine
别名:Pemetrexed ditromethamine dihydrate
IUPAC:(2S)-2-{[4-(2-{2-amino-4-oxo-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-5-yl}ethyl)phenyl]formamido}pentanedioic acid bis(2-amino-2-(hydroxymethyl)propane-1,3-diol) dihydrate
IUPAC:(2S)-2-{[4-(2-{2-amino-4-oxo-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-5-yl}ethyl)phenyl]formamido}pentanedioic acid bis(2-amino-2-(hydroxymethyl)propane-1,3-diol) dihydrate
InChI key:DUORKVZYABUEHW-AHJYMZSGSA-N

分子式:C28H47N7O14
分子量:705.719
氢键供体数 (HBD):6
氢键受体数 (HBA):8
LogP:-0.029419232
SMILES:O.O.NC(CO)(CO)CO.NC(CO)(CO)CO.Nc1nc2[nH]cc(CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1
SMILES:O.O.NC(CO)(CO)CO.NC(CO)(CO)CO.Nc1nc2[nH]cc(CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1

Pemetrexed tromethamine is a chemotherapy drug used for pleural mesothelioma and non-small cell lung cancer.

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