Desfluoro Fosaprepitant

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H23F6N4O6P
Molecular Weight	596.4161
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=FOBJZJOQMDSQDA-CAYVGHNUSA-N

InChI=1S/C23H23F6N4O6P/c1-13(15-9-16(22(24,25)26)11-17(10-15)23(27,28)29)39-20-19(14-5-3-2-4-6-14)32(7-8-38-20)12-18-30-21(34)33(31-18)40(35,36)37/h2-6,9-11,13,19-20H,7-8,12H2,1H3,(H,30,31,34)(H2,35,36,37)/t13-,19+,20-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C23H23F6N4O6P
Molecular Weight	596.4161
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 `Mon Mar 31 23:20:05 GMT 2025` Edited by `admin` on `Mon Mar 31 23:20:05 GMT 2025`
Record UNII	EX73A7L3XN
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

[3-[[(2R,3S)-2-[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-phenylmorpholin-4-yl]methyl]-5-oxo-4H-1,2,4-triazol-1-yl]phosphonic acid

Preferred Name

English

Desfluoro Fosaprepitant

Common Name

English

Code System Code Type Description

CAS

2578084-26-9

Created by admin on Mon Mar 31 23:20:05 GMT 2025 , Edited by admin on Mon Mar 31 23:20:05 GMT 2025

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FDA UNII

EX73A7L3XN

Created by admin on Mon Mar 31 23:20:05 GMT 2025 , Edited by admin on Mon Mar 31 23:20:05 GMT 2025

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PUBCHEM

169437783

Created by admin on Mon Mar 31 23:20:05 GMT 2025 , Edited by admin on Mon Mar 31 23:20:05 GMT 2025

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