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

Details

Stereochemistry ABSOLUTE
Molecular Formula C14H17ClO3
Molecular Weight 268.736
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

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

SMILES

OC(=O)[C@@]2(CCCCCC1=CC=C(Cl)C=C1)CO2

InChI

InChIKey=ACZKTJZXXSHIGF-CQSZACIVSA-N
InChI=1S/C14H17ClO3/c15-12-7-5-11(6-8-12)4-2-1-3-9-14(10-18-14)13(16)17/h5-8H,1-4,9-10H2,(H,16,17)/t14-/m1/s1

HIDE SMILES / InChI

Molecular Formula C14H17ClO3
Molecular Weight 268.736
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 10:25:34 GMT 2023
Edited
by admin
on Sat Dec 16 10:25:34 GMT 2023
Record UNII
0425833IV2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CLOMOXIR, (R)-
Common Name English
2-OXIRANECARBOXYLIC ACID, 2-(5-(4-CHLOROPHENYL)PENTYL), (R)-
Systematic Name English
Code System Code Type Description
PUBCHEM
37888448
Created by admin on Sat Dec 16 10:25:34 GMT 2023 , Edited by admin on Sat Dec 16 10:25:34 GMT 2023
PRIMARY
FDA UNII
0425833IV2
Created by admin on Sat Dec 16 10:25:34 GMT 2023 , Edited by admin on Sat Dec 16 10:25:34 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER