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

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H23ClO3
Molecular Weight 346.848
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BECLOBRATE, (R)-

SMILES

CCOC(=O)[C@@](C)(CC)OC1=CC=C(CC2=CC=C(Cl)C=C2)C=C1

InChI

InChIKey=YWQGBCXVCXMSLJ-HXUWFJFHSA-N
InChI=1S/C20H23ClO3/c1-4-20(3,19(22)23-5-2)24-18-12-8-16(9-13-18)14-15-6-10-17(21)11-7-15/h6-13H,4-5,14H2,1-3H3/t20-/m1/s1

HIDE SMILES / InChI

Molecular Formula C20H23ClO3
Molecular Weight 346.848
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 Mon Mar 31 22:31:45 GMT 2025
Edited
by admin
on Mon Mar 31 22:31:45 GMT 2025
Record UNII
2LP45ML6FD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BECLOBRATE, (R)-
Common Name English
BUTANOIC ACID, 2-(4-((4-CHLOROPHENYL)METHYL)PHENOXY)-2-METHYL-, ETHYL ESTER, (R)-
Preferred Name English
Code System Code Type Description
FDA UNII
2LP45ML6FD
Created by admin on Mon Mar 31 22:31:45 GMT 2025 , Edited by admin on Mon Mar 31 22:31:45 GMT 2025
PRIMARY
PUBCHEM
76958453
Created by admin on Mon Mar 31 22:31:45 GMT 2025 , Edited by admin on Mon Mar 31 22:31:45 GMT 2025
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER