DEFLUORO APREPITANT

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H22F6N4O3
Molecular Weight	516.4362
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=NNC(=O)N2)[C@H]1C3=CC=CC=C3)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

InChI

InChIKey=YOBMIXIISZAQGF-CAYVGHNUSA-N

InChI=1S/C23H22F6N4O3/c1-13(15-9-16(22(24,25)26)11-17(10-15)23(27,28)29)36-20-19(14-5-3-2-4-6-14)33(7-8-35-20)12-18-30-21(34)32-31-18/h2-6,9-11,13,19-20H,7-8,12H2,1H3,(H2,30,31,32,34)/t13-,19+,20-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C23H22F6N4O3
Molecular Weight	516.4362
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 23:27:54 GMT 2025` Edited by `admin` on `Mon Mar 31 23:27:54 GMT 2025`
Record UNII	I8ZN5S5LTS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

5-(((2R,3S)-2-((R)-1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)ETHOXY)-3-PHENYLMORPHOLINO)METHYL)-2H-1,2,4-TRIAZOL-3(4H)-ONE

Preferred Name

English

DEFLUORO APREPITANT

Common Name

English

APREPITANT IMPURITY A [EP IMPURITY]

Common Name

English

DESFLUORO APREPITANT [USP IMPURITY]

Common Name

English

DESFLUORO APREPITANT [USP-RS]

Common Name

English

3H-1,2,4-TRIAZOL-3-ONE, 5-(((2R,3S)-2-((1R)-1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)ETHOXY)-3-PHENYL-4-MORPHOLINYL)METHYL)-1,2-DIHYDRO-

Systematic Name

English

Code System Code Type Description

FDA UNII

I8ZN5S5LTS