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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H16F7NO3
Molecular Weight 451.3348
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-((1R)-1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)ETHOXY)-5-(4-FLUOROPHENYL)3-MORPHOLINONE, (5S,6R)-

SMILES

C[C@@H](O[C@H]1OCC(=O)N[C@H]1C2=CC=C(F)C=C2)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChIKey=UISOBKKSNVFVOF-KTTLUUMZSA-N
InChI=1S/C20H16F7NO3/c1-10(12-6-13(19(22,23)24)8-14(7-12)20(25,26)27)31-18-17(28-16(29)9-30-18)11-2-4-15(21)5-3-11/h2-8,10,17-18H,9H2,1H3,(H,28,29)/t10-,17+,18-/m1/s1

HIDE SMILES / InChI

Molecular Formula C20H16F7NO3
Molecular Weight 451.3348
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 Sat Dec 16 11:15:06 UTC 2023
Edited
by admin
on Sat Dec 16 11:15:06 UTC 2023
Record UNII
L9KBR6F84D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-((1R)-1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)ETHOXY)-5-(4-FLUOROPHENYL)3-MORPHOLINONE, (5S,6R)-
Systematic Name English
APREPITANT METABOLITE M-1
Common Name English
3-MORPHOLINONE, 6-((1R)-1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)ETHOXY)-5-(4-FLUOROPHENYL)-, (5S,6R)-
Systematic Name English
Code System Code Type Description
PUBCHEM
9933512
Created by admin on Sat Dec 16 11:15:06 UTC 2023 , Edited by admin on Sat Dec 16 11:15:06 UTC 2023
PRIMARY
FDA UNII
L9KBR6F84D
Created by admin on Sat Dec 16 11:15:06 UTC 2023 , Edited by admin on Sat Dec 16 11:15:06 UTC 2023
PRIMARY
CAS
419574-04-2
Created by admin on Sat Dec 16 11:15:06 UTC 2023 , Edited by admin on Sat Dec 16 11:15:06 UTC 2023
PRIMARY
EPA CompTox
DTXSID50433021
Created by admin on Sat Dec 16 11:15:06 UTC 2023 , Edited by admin on Sat Dec 16 11:15:06 UTC 2023
PRIMARY
Related Record Type Details
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