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
-
morpholinesView Class →
CHEBI:38785
-
triazolesView Class →
CHEBI:35727
-
(trifluoromethyl)benzenesView Class →
CHEBI:83565
-
cyclic acetalView Class →
CHEBI:59770
-
phosphoramideView Class →
CHEBI:17102
-
t265310
-
t265441
-
t266163
-
t266431
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
🔍 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