CP-122721

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 Search

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

PubMed

Title	Date	PubMed
Emetic action of the prostanoid TP receptor agonist, U46619, in Suncus murinus (house musk shrew).	2003 Dec 15	14660035

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:07:47 GMT 2023` Edited by `admin` on `Fri Dec 15 18:07:47 GMT 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 GMT 2023 , Edited by admin on Fri Dec 15 18:07:48 GMT 2023

PRIMARY

DRUG BANK

DB05421

Created by admin on Fri Dec 15 18:07:48 GMT 2023 , Edited by admin on Fri Dec 15 18:07:48 GMT 2023

PRIMARY

CAS

145742-28-5

Created by admin on Fri Dec 15 18:07:48 GMT 2023 , Edited by admin on Fri Dec 15 18:07:48 GMT 2023

PRIMARY

FDA UNII

R7OYP6N58F

Created by admin on Fri Dec 15 18:07:48 GMT 2023 , Edited by admin on Fri Dec 15 18:07:48 GMT 2023

PRIMARY

PUBCHEM

9821217

Created by admin on Fri Dec 15 18:07:48 GMT 2023 , Edited by admin on Fri Dec 15 18:07:48 GMT 2023

PRIMARY

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					6OU487748Q

SUBSTANCE-P RECEPTOR

TARGET -> INHIBITOR

Interaction Type:

SELECTIVE

Amount:


					225C5779IV

CP-122721 DIHYDROCHLORIDE

SALT/SOLVATE -> PARENT

Amount:

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					9YK2LD29LN

.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 2-(AMINOMETHYL)-4-(TRIFLUOROMETHOXY)PHENYL

METABOLITE -> PARENT

Comments:

IN EXTENSIVE METABOLIZER HUMAN SUBJECTS

Qualification:

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Amount:


					NDL1FEY5R9

.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 2-((((2S,3S)-2-PHENYL-3-PIPERIDINYL)AMINO)METHYL)-4-(TRIFLUOROMETHOXY)PHENYL

METABOLITE -> PARENT

Comments:

IN EXTENSIVE METABOLIZER HUMAN SUBJECTS

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URINE

Amount:


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.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (2-HYDROXY-5-(TRIFLUOROMETHOXY)PHENYL)METHYL

METABOLITE -> PARENT

Comments:

IN EXTENSIVE METABOLIZER HUMAN SUBJECTS

Qualification:

URINE

Amount:


					5BU4YE0JNW

2,4-PIPERIDINEDIONE, 5-(((2-METHOXY-5-(TRIFLUOROMETHOXY)PHENYL)METHYL)AMINO)-6-PHENYL-, (5R,6S)-

METABOLITE -> PARENT

Comments:

IN EXTENSIVE METABOLIZER HUMAN SUBJECTS

Qualification:

URINE

Amount:


					GXF18XW0VP

.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 2-((((2S,3S)-6-OXO-2-PHENYL-3-PIPERIDINYL)AMINO)METHYL)-4-(TRIFLUOROMETHOXY)PHENYL

METABOLITE -> PARENT

Comments:

IN EXTENSIVE METABOLIZER HUMAN SUBJECTS

Qualification:

URINE

Amount:


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2-(AMINOMETHYL)-4-(TRIFLUOROMETHOXY)PHENYLSULFATE

METABOLITE -> PARENT

Comments:

IN EXTENSIVE METABOLIZER HUMAN SUBJECTS

Qualification:

URINE

Amount:


					5U7H38I0VB

2-HYDROXY-5-(TRIFLUOROMETHOXY)BENZOIC ACID

METABOLITE -> PARENT

Comments:

IN POOR METABOLIZER HUMAN SUBJECTS

Qualification:

URINE

Amount:


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(5S,6S)-5-(((2-HYDROXY-5-(TRIFLUOROMETHOXY)PHENYL)METHYL)AMINO)-6-PHENYL-2-PIPERIDINONE

METABOLITE -> PARENT

Comments:

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Amount:


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Comments:

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Qualification:

FECAL

Amount:

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					R7OYP6N58F

CP-122721

ACTIVE MOIETY

Amount:

Name	Property Type	Parameters
Biological Half-life	PHARMACOKINETIC	ORAL ADMINISTRATION IN EXTENSIVE METABOLIZERS

Biological Half-life	PHARMACOKINETIC	IN POOR METABOLIZERS ORAL ADMINISTRATION