U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H18F7NO2
Molecular Weight 437.3512
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-((1R)-1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)ETHOXY)-3-(4-FLUOROPHENYL) MORPHOLINE, (2R,3S)-

SMILES

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

InChI

InChIKey=AFBDSAJOMZYQAI-CNOZUTPLSA-N
InChI=1S/C20H18F7NO2/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/h2-5,8-11,17-18,28H,6-7H2,1H3/t11-,17+,18-/m1/s1

HIDE SMILES / InChI

Molecular Formula C20H18F7NO2
Molecular Weight 437.3512
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
A simple quantitative FT-IR approach for the study of a polymorphic transformation under crystallization slurry conditions.
2001 Jul
Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:23:58 GMT 2023
Edited
by admin
on Sat Dec 16 11:23:58 GMT 2023
Record UNII
EA5SX368WV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-((1R)-1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)ETHOXY)-3-(4-FLUOROPHENYL) MORPHOLINE, (2R,3S)-
Common Name English
MORPHOLINE, 2-((1R)-1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)ETHOXY)-3-(4-FLUOROPHENYL)-, (2R,3S)-
Systematic Name English
Code System Code Type Description
CAS
171338-27-5
Created by admin on Sat Dec 16 11:23:58 GMT 2023 , Edited by admin on Sat Dec 16 11:23:58 GMT 2023
PRIMARY
FDA UNII
EA5SX368WV
Created by admin on Sat Dec 16 11:23:58 GMT 2023 , Edited by admin on Sat Dec 16 11:23:58 GMT 2023
PRIMARY
EPA CompTox
DTXSID00435818
Created by admin on Sat Dec 16 11:23:58 GMT 2023 , Edited by admin on Sat Dec 16 11:23:58 GMT 2023
PRIMARY
PUBCHEM
10113945
Created by admin on Sat Dec 16 11:23:58 GMT 2023 , Edited by admin on Sat Dec 16 11:23:58 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE