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

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H29NO4
Molecular Weight 347.4486
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FEDRILATE, (S)-

SMILES

C[C@@H](CCN1CCOCC1)OC(=O)C2(CCOCC2)C3=CC=CC=C3

InChI

InChIKey=RDEOYUSTRWNWLX-KRWDZBQOSA-N
InChI=1S/C20H29NO4/c1-17(7-10-21-11-15-24-16-12-21)25-19(22)20(8-13-23-14-9-20)18-5-3-2-4-6-18/h2-6,17H,7-16H2,1H3/t17-/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H29NO4
Molecular Weight 347.4486
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 01:54:20 GMT 2023
Edited
by admin
on Sat Dec 16 01:54:20 GMT 2023
Record UNII
QV7827A8ZQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FEDRILATE, (S)-
Common Name English
2H-PYRAN-4-CARBOXYLIC ACID, TETRAHYDRO-4-PHENYL-, 1-METHYL-3-(4-MORPHOLINYL)PROPYL ESTER, (S)-
Systematic Name English
Code System Code Type Description
FDA UNII
QV7827A8ZQ
Created by admin on Sat Dec 16 01:54:20 GMT 2023 , Edited by admin on Sat Dec 16 01:54:20 GMT 2023
PRIMARY
PUBCHEM
76966062
Created by admin on Sat Dec 16 01:54:20 GMT 2023 , Edited by admin on Sat Dec 16 01:54:20 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER