Products 172673-20-0

CAS 172673-20-0 appears in our catalog under these names: Fosaprepitant, (3-{[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl}-5-oxo-2,5-dihydro-1H-1,2,4-triazol-1-yl)phosphonic acid, 98%, 98%. Offered by: Chemat Brand, GLPBio, Chemat, MedChemExpress. Available pack sizes: on request, 10mg, 25mg, 5mg, 10mM (in 1ml dmso), 50mg, Get quote.

Fosaprepitant
Chemat Brand, GLPBio, MedChemExpress
  • size: on request, 10mg, 25mg, 5mg
  • Variants: 8
from 742.14
View product
(3-{[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl}-5-oxo-2,5-dihydro-1H-1,2,4-triazol-1-yl)phosphonic acid, 98%, 98%
Chemat
  • size: 5mg
  • Variants: 1
from 731.60
View product
Structural formula: {0} (CAS {1})

Fosaprepitant is 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. It has a role as a prodrug, an antiemetic and a neurokinin-1 receptor antagonist. It is a phosphoramide, a member of triazoles, a member of morpholines, a cyclic acetal and a member of (trifluoromethyl)benzenes. It is a conjugate acid of a fosaprepitant(2-).

Source: ChEBI

Identity
Molecular formulaC23H22F7N4O6P
Molecular weight614.4 g/mol
IUPAC name[3-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-5-oxo-4H-1,2,4-triazol-1-yl]phosphonic acid
InChIKeyBARDROPHSZEBKC-OITMNORJSA-N
SMILESC[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@@H](N(CCO2)CC3=NN(C(=O)N3)P(=O)(O)O)C4=CC=C(C=C4)F

Computed by PubChem (NCBI)

Synonyms: Fosaprepitant, fosaprepitantum, Fosaprepitant [INN], Fosaprepitant (INN), Fosaprepitant [INN:BAN], fosaprepitant-dimeglumine, FOSAPREPITANT [MI], FOSAPREPITANT [VANDF], FOSAPREPITANT [MART.], FOSAPREPITANT [WHO-DD]
Related forms of this compound
[3-[[(2R,3R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-5-oxo-4H-1,2,4-triazol-1-yl]phosphonic acid C23H22F7N4O6P
Isomers (same molecular formula)
[3-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-5-oxo-1H-1,2,4-triazol-4-yl]phosphonic acid C23H22F7N4O6P