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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H16F7NO2
Molecular Weight 435.3354
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (2R)-2-((1R)-1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)ETHOXY)-3-(4-FLUOROPHENYL)-5,6-DIHYDRO-2H-1,4-OXAZINE

SMILES

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

InChI

InChIKey=KHOSCFXAHZBOCH-ADLMAVQZSA-N
InChI=1S/C20H16F7NO2/c1-11(13-8-14(19(22,23)24)10-15(9-13)20(25,26)27)30-18-17(28-6-7-29-18)12-2-4-16(21)5-3-12/h2-5,8-11,18H,6-7H2,1H3/t11-,18-/m1/s1

HIDE SMILES / InChI

Molecular Formula C20H16F7NO2
Molecular Weight 435.3354
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:21:36 UTC 2023
Edited
by admin
on Sat Dec 16 18:21:36 UTC 2023
Record UNII
38EA8GN2BN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(2R)-2-((1R)-1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)ETHOXY)-3-(4-FLUOROPHENYL)-5,6-DIHYDRO-2H-1,4-OXAZINE
Systematic Name English
APRIMIN
Common Name English
2H-1,4-OXAZINE, 2-((1R)-1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)ETHOXY)-3-(4-FLUOROPHENYL)-5,6-DIHYDRO-, (2R)-
Systematic Name English
APREPITANT METABOLITE M-2
Common Name English
Code System Code Type Description
FDA UNII
38EA8GN2BN
Created by admin on Sat Dec 16 18:21:36 UTC 2023 , Edited by admin on Sat Dec 16 18:21:36 UTC 2023
PRIMARY
EPA CompTox
DTXSID30437709
Created by admin on Sat Dec 16 18:21:36 UTC 2023 , Edited by admin on Sat Dec 16 18:21:36 UTC 2023
PRIMARY
CAS
380499-07-0
Created by admin on Sat Dec 16 18:21:36 UTC 2023 , Edited by admin on Sat Dec 16 18:21:36 UTC 2023
PRIMARY
PUBCHEM
10274609
Created by admin on Sat Dec 16 18:21:36 UTC 2023 , Edited by admin on Sat Dec 16 18:21:36 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE