Fosaprepitant (dimeglumine)|CS-1761|265121-04-8

Fosaprepitant (dimeglumine)

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Sku TS246CS-1761_250_MG
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Product Information

Product Name
Fosaprepitant (dimeglumine)
Brand Name
ChemScene
Product Number
CS-1761
CAS
265121-04-8
Certificate of Analysis (COA)​
COA not found

General Information

PubChem CID
135564864
IUPAC Name
3-(2R,3S)-2-(1R)-1-3,5-bis(trifluoromethyl)phenylethoxy-3-(4-fluorophenyl)morpholin-4-ylmethyl-5-oxo-4H-1,2,4-triazol-1-ylphosphonic acid;bis((2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol)
InChI Key
VRQHBYGYXDWZDL-OOZCZQCLSA-N
SMILES
CC@H(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OC@@H2C@@H(N(CCO2)CC3=NN(C(=O)N3)P(=O)(O)O)C4=CC=C(C=C4)F.CNCC@@H(C@H(C@@H(C@@H(CO)O)O)O)O.CNCC@@H(C@H(C@@H(C@@H(CO)O)O)O)O

References

Experimental spectroscopic and molecular docking investigations of the anticancer drugs aprepitant and capecitabine
Publication Name: Theoretical Chemistry Accounts
Publication Date: 2023-10-14
DOI: 10.1007/s00214-023-03055-z

Phospholipase A2 isoenzyme from porcine pancreas. Purification and some properties
Publication Name: Biochimica et Biophysica Acta (BBA) - Enzymology
Publication Date: 1975-12-18
DOI: 10.1016/0005-2744(75)90232-6