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Details

Stereochemistry EPIMERIC
Molecular Formula C20H17F7N2O3
Molecular Weight 466.3494
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Aprepitant Nitroso Impurity 1

SMILES

C[C@@H](O[C@H]1OCCN(N=O)C1C2=CC=C(F)C=C2)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChIKey=DOCZFOXWYMIYPN-MDXNDARISA-N
InChI=1S/C20H17F7N2O3/c1-11(13-8-14(19(22,23)24)10-15(9-13)20(25,26)27)32-18-17(29(28-30)6-7-31-18)12-2-4-16(21)5-3-12/h2-5,8-11,17-18H,6-7H2,1H3/t11-,17?,18-/m1/s1

HIDE SMILES / InChI

Molecular Formula C20H17F7N2O3
Molecular Weight 466.3494
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 2 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:55:29 UTC 2023
Edited
by admin
on Sat Dec 16 19:55:29 UTC 2023
Record UNII
3VPP4U4JZW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Aprepitant Nitroso Impurity 1
Common Name English
(2R)-2-((R)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)-4-nitrosomorpholine
Systematic Name English
Code System Code Type Description
FDA UNII
3VPP4U4JZW
Created by admin on Sat Dec 16 19:55:29 UTC 2023 , Edited by admin on Sat Dec 16 19:55:29 UTC 2023
PRIMARY
PUBCHEM
167713317
Created by admin on Sat Dec 16 19:55:29 UTC 2023 , Edited by admin on Sat Dec 16 19:55:29 UTC 2023
PRIMARY
Related Record Type Details
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