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

Details

Stereochemistry ABSOLUTE
Molecular Formula C11H10ClNO2
Molecular Weight 223.656
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-Isoxazolemethanol, 5-(3-chlorophenyl)-α-methyl-, (αR)-

SMILES

C[C@@H](O)C1=NOC(=C1)C2=CC=CC(Cl)=C2

InChI

InChIKey=FOLGHHVVTIHOLE-SSDOTTSWSA-N
InChI=1S/C11H10ClNO2/c1-7(14)10-6-11(15-13-10)8-3-2-4-9(12)5-8/h2-7,14H,1H3/t7-/m1/s1

HIDE SMILES / InChI

Molecular Formula C11H10ClNO2
Molecular Weight 223.656
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 15:32:06 GMT 2023
Edited
by admin
on Sat Dec 16 15:32:06 GMT 2023
Record UNII
J37C57Q8FU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-Isoxazolemethanol, 5-(3-chlorophenyl)-α-methyl-, (αR)-
Systematic Name English
(R)-1-[5-(3-chlorophenyl)isoxazol-3-yl] ethanol
Systematic Name English
(1R)-1-[5-(3-Chlorophenyl)-1,2-oxazol-3-yl]ethan-1-ol
Systematic Name English
(αR)-5-(3-Chlorophenyl)-α-methyl-3-isoxazolemethanol
Systematic Name English
(R)-1-[5-(3-chloro-phenyl)-isoxazol-3-yl]-ethanol
Systematic Name English
Code System Code Type Description
PUBCHEM
46701926
Created by admin on Sat Dec 16 15:32:06 GMT 2023 , Edited by admin on Sat Dec 16 15:32:06 GMT 2023
PRIMARY
FDA UNII
J37C57Q8FU
Created by admin on Sat Dec 16 15:32:06 GMT 2023 , Edited by admin on Sat Dec 16 15:32:06 GMT 2023
PRIMARY