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

Details

Stereochemistry RACEMIC
Molecular Formula C10H9F3O3
Molecular Weight 234.1719
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-HYDROXY-3-(3-(TRIFLUOROMETHYL)PHENYL)PROPANOIC ACID

SMILES

OC(CC(O)=O)C1=CC(=CC=C1)C(F)(F)F

InChI

InChIKey=ARFYNQMPBJSMQL-UHFFFAOYSA-N
InChI=1S/C10H9F3O3/c11-10(12,13)7-3-1-2-6(4-7)8(14)5-9(15)16/h1-4,8,14H,5H2,(H,15,16)

HIDE SMILES / InChI

Molecular Formula C10H9F3O3
Molecular Weight 234.1719
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:23:57 GMT 2023
Edited
by admin
on Sat Dec 16 11:23:57 GMT 2023
Record UNII
0PZ8WB7D0N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-HYDROXY-3-(3-(TRIFLUOROMETHYL)PHENYL)PROPANOIC ACID
Systematic Name English
3-HYDROXY-M-(TRIFLUOROMETHYL)HYDROCINNAMIC ACID
Systematic Name English
CINACALCET (M6)
Common Name English
3-HYDROXY-3'-CF3-HYDROCINNAMIC ACID
Common Name English
BENZENEPROPANOIC ACID, .BETA.-HYDROXY-3-(TRIFLUOROMETHYL)-
Systematic Name English
Code System Code Type Description
FDA UNII
0PZ8WB7D0N
Created by admin on Sat Dec 16 11:23:57 GMT 2023 , Edited by admin on Sat Dec 16 11:23:57 GMT 2023
PRIMARY
CAS
848608-69-5
Created by admin on Sat Dec 16 11:23:57 GMT 2023 , Edited by admin on Sat Dec 16 11:23:57 GMT 2023
PRIMARY
PUBCHEM
62394948
Created by admin on Sat Dec 16 11:23:57 GMT 2023 , Edited by admin on Sat Dec 16 11:23:57 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
MINOR