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

Details

Stereochemistry ABSOLUTE
Molecular Formula C19H22FNO3
Molecular Weight 331.3813
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PHENOL, 4-((4-(4-FLUOROPHENYL)-3-PIPERIDINYL)METHOXY)-2-METHOXY-, (3S-TRANS)-

SMILES

COC1=CC(OC[C@@H]2CNCC[C@H]2C3=CC=C(F)C=C3)=CC=C1O

InChI

InChIKey=DTXXMQRFTUCBHG-YOEHRIQHSA-N
InChI=1S/C19H22FNO3/c1-23-19-10-16(6-7-18(19)22)24-12-14-11-21-9-8-17(14)13-2-4-15(20)5-3-13/h2-7,10,14,17,21-22H,8-9,11-12H2,1H3/t14-,17-/m0/s1

HIDE SMILES / InChI

Molecular Formula C19H22FNO3
Molecular Weight 331.3813
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 04:49:32 GMT 2023
Edited
by admin
on Sat Dec 16 04:49:32 GMT 2023
Record UNII
Q8ZXG5RT43
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PHENOL, 4-((4-(4-FLUOROPHENYL)-3-PIPERIDINYL)METHOXY)-2-METHOXY-, (3S-TRANS)-
Common Name English
BRL 36610A
Common Name English
Code System Code Type Description
PUBCHEM
163876
Created by admin on Sat Dec 16 04:49:33 GMT 2023 , Edited by admin on Sat Dec 16 04:49:33 GMT 2023
PRIMARY
EPA CompTox
DTXSID80920656
Created by admin on Sat Dec 16 04:49:33 GMT 2023 , Edited by admin on Sat Dec 16 04:49:33 GMT 2023
PRIMARY
FDA UNII
Q8ZXG5RT43
Created by admin on Sat Dec 16 04:49:33 GMT 2023 , Edited by admin on Sat Dec 16 04:49:33 GMT 2023
PRIMARY
CAS
112058-90-9
Created by admin on Sat Dec 16 04:49:33 GMT 2023 , Edited by admin on Sat Dec 16 04:49:33 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE INACTIVE