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fosaprepitant

CHEBI:CHEBI_64321

Definition

A morpholine derivative that is the (1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl ether of (3-{[(2R,3S)-3-(4-fluorophenyl)-2-hydroxymorpholin-4-yl]methyl}-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)phosphonic acid.

Chemical Information

Molecular Formula
C23H22F7N4O6P
Molecular Mass
614.40660
Charge
0
SMILES
C[C@@H](O[C@H]1OCCN(Cc2nn(c(=O)[nH]2)P(O)(O)=O)[C@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C23H22F7N4O6P/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)40-20-19(13-2-4-17(24)5-3-13)33(6-7-39-20)11-18-31-21(35)34(32-18)41(36,37)38/h2-5,8-10,12,19-20H,6-7,11H2,1H3,(H,31,32,35)(H2,36,37,38)/t12-,19+,20-/m1/s1
InChIKey
BARDROPHSZEBKC-OITMNORJSA-N

Alternative Names

  • (3-{[(2R,3S)-2-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophenyl)morpholin-4-yl]methyl}-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)phosphonic acid
  • fosaprepitant
  • fosaprepitantum
  • L-758,298
  • L-758298

Drug Classification

Important Medical Information

⚕️ This information is sourced from ChEBI (Chemical Entities of Biological Interest) database and is intended for educational purposes only.

  • Always consult with a healthcare professional before starting, stopping, or modifying any medication.
  • Side effects may vary and this list may not be comprehensive.
  • Drug interactions may occur with other medications.

Additional Identifiers

DRON_00010000
1731071
oboInOwl#hasDbXref
Wikipedia:Fosaprepitant_dimeglumine
core#notation
CHEBI:64321

Additional References

Wikipedia:Fosaprepitant_dimeglumine

🔍 Click on any linked disease name to learn more about the conditions this medication is used to treat, or explore related drug classifications for more information about similar medications.

Additional Attributes

rdf-schema#domain
https://w3id.org/def/predibionto#has_side_effect31056
chebi#is_conjugate_base_of
http://purl.obolibrary.org/obo/CHEBI_64322
owl#annotatedSource
t266348
owl#someValuesFrom
t2910448
oboInOwl#hasOBONamespace
chebi_ontology
DRON_00010000
1731071
oboInOwl#hasDbXref
Wikipedia:Fosaprepitant_dimeglumine
oboInOwl#id
CHEBI:64321
core#notation
CHEBI:64321
oboInOwl#inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
RO_0000087
http://purl.obolibrary.org/obo/CHEBI_55350
chebi#is_conjugate_acid_of
http://purl.obolibrary.org/obo/CHEBI_64322
22-rdf-syntax-ns#type
http://www.w3.org/2002/07/owl#Class