P-[3-[[(2S,3R)-2-[(1S)-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

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-[[(2S,3R)-2-[(1S)-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

Structure Search

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-KNMUDHKVSA-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-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C23H22F7N4O6P
Molecular Weight	614.4066
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 20:41:39 GMT 2025` Edited by `admin` on `Wed Apr 02 20:41:39 GMT 2025`
Record UNII	JAU3KX7P58
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

P-[3-[[(2S,3R)-2-[(1S)-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

Phosphonic acid, P-[3-[[(2S,3R)-2-[(1S)-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

[3-[[(2S,3R)-2-[(1S)-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

Systematic Name

English

Code System Code Type Description

CAS

1523569-86-9

Created by admin on Wed Apr 02 20:41:39 GMT 2025 , Edited by admin on Wed Apr 02 20:41:39 GMT 2025

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FDA UNII

JAU3KX7P58

Created by admin on Wed Apr 02 20:41:39 GMT 2025 , Edited by admin on Wed Apr 02 20:41:39 GMT 2025

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PUBCHEM

137137144

Created by admin on Wed Apr 02 20:41:39 GMT 2025 , Edited by admin on Wed Apr 02 20:41:39 GMT 2025

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