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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H22F7N4O6P
Molecular Weight 614.4066
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of P-[3-[[(2R,3R)-2-[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-morpholinyl]methyl]-2,5-dihydro-5-oxo-1H-1,2,4-triazol-1-yl]phosphonic acid

SMILES

C[C@@H](O[C@H]1OCCN(CC2=NN(C(=O)N2)P(O)(O)=O)[C@@H]1C3=CC=C(F)C=C3)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

InChI

InChIKey=BARDROPHSZEBKC-TVNIXMEMSA-N
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

HIDE SMILES / InChI

Approval Year

Name Type Language
Phosphonic acid, P-[3-[[(2R,3R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-morpholinyl]methyl]-2,5-dihydro-5-oxo-1H-1,2,4-triazol-1-yl]-
Preferred Name English
P-[3-[[(2R,3R)-2-[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-morpholinyl]methyl]-2,5-dihydro-5-oxo-1H-1,2,4-triazol-1-yl]phosphonic acid
Systematic Name English
Code System Code Type Description
PUBCHEM
137184358
Created by admin on Wed Apr 02 20:32:18 GMT 2025 , Edited by admin on Wed Apr 02 20:32:18 GMT 2025
PRIMARY
FDA UNII
5Z3LJ67NGR
Created by admin on Wed Apr 02 20:32:18 GMT 2025 , Edited by admin on Wed Apr 02 20:32:18 GMT 2025
PRIMARY
CAS
1523569-89-2
Created by admin on Wed Apr 02 20:32:18 GMT 2025 , Edited by admin on Wed Apr 02 20:32:18 GMT 2025
PRIMARY