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

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H23F3N2O2
Molecular Weight 380.404
Optical Activity ( + )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CP-122721

SMILES

COC1=CC=C(OC(F)(F)F)C=C1CN[C@H]2CCCN[C@H]2C3=CC=CC=C3

InChI

InChIKey=ZIWFCOIGUNPHPM-HKUYNNGSSA-N
InChI=1S/C20H23F3N2O2/c1-26-18-10-9-16(27-20(21,22)23)12-15(18)13-25-17-8-5-11-24-19(17)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,17,19,24-25H,5,8,11,13H2,1H3/t17-,19-/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H23F3N2O2
Molecular Weight 380.404
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 Fri Dec 15 18:07:47 UTC 2023
Edited
by admin
on Fri Dec 15 18:07:47 UTC 2023
Record UNII
R7OYP6N58F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CP-122721
Common Name English
CP-122,721
Code English
(+)-CP-122,721
Code English
(2S,3S)-2-PHENYL-3-((5-TRIFLUOROMETHOXY-2-METHOXY)BENZYLAMINO)PIPERIDINE
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID9047251
Created by admin on Fri Dec 15 18:07:48 UTC 2023 , Edited by admin on Fri Dec 15 18:07:48 UTC 2023
PRIMARY
DRUG BANK
DB05421
Created by admin on Fri Dec 15 18:07:48 UTC 2023 , Edited by admin on Fri Dec 15 18:07:48 UTC 2023
PRIMARY
CAS
145742-28-5
Created by admin on Fri Dec 15 18:07:48 UTC 2023 , Edited by admin on Fri Dec 15 18:07:48 UTC 2023
PRIMARY
FDA UNII
R7OYP6N58F
Created by admin on Fri Dec 15 18:07:48 UTC 2023 , Edited by admin on Fri Dec 15 18:07:48 UTC 2023
PRIMARY
PUBCHEM
9821217
Created by admin on Fri Dec 15 18:07:48 UTC 2023 , Edited by admin on Fri Dec 15 18:07:48 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
SELECTIVE
SALT/SOLVATE -> PARENT
Related Record Type Details
METABOLITE -> PARENT
IN EXTENSIVE METABOLIZER HUMAN SUBJECTS
URINE
METABOLITE -> PARENT
IN EXTENSIVE METABOLIZER HUMAN SUBJECTS
URINE
METABOLITE -> PARENT
IN EXTENSIVE METABOLIZER HUMAN SUBJECTS
URINE
METABOLITE -> PARENT
IN EXTENSIVE METABOLIZER HUMAN SUBJECTS
URINE
METABOLITE -> PARENT
IN EXTENSIVE METABOLIZER HUMAN SUBJECTS
URINE
METABOLITE -> PARENT
IN EXTENSIVE METABOLIZER HUMAN SUBJECTS
URINE
METABOLITE -> PARENT
IN POOR METABOLIZER HUMAN SUBJECTS
URINE
METABOLITE -> PARENT
IN POOR METABOLIZER HUMAN SUBJECTS
FECAL
METABOLITE -> PARENT
IN TWO EXTENSIVE METABOLIZER HUMAN SUBJECTS
FECAL
Related Record Type Details
ACTIVE MOIETY
Name Property Type Amount Referenced Substance Defining Parameters References
Biological Half-life PHARMACOKINETIC ORAL ADMINISTRATION

IN EXTENSIVE METABOLIZERS

Biological Half-life PHARMACOKINETIC IN POOR METABOLIZERS

ORAL ADMINISTRATION