4-CHLOROFENTANYL

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C22H27ClN2O
Molecular Weight	370.916
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-CHLOROFENTANYL

Structure Search

SMILES

CCC(=O)N(C1CCN(CCC2=CC=CC=C2)CC1)C3=CC=C(Cl)C=C3

InChI

InChIKey=CUGMWAHBYRKBKL-UHFFFAOYSA-N

InChI=1S/C22H27ClN2O/c1-2-22(26)25(20-10-8-19(23)9-11-20)21-13-16-24(17-14-21)15-12-18-6-4-3-5-7-18/h3-11,21H,2,12-17H2,1H3

HIDE SMILES / InChI

Molecular Formula	C22H27ClN2O
Molecular Weight	370.916
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 20:31:47 GMT 2025` Edited by `admin` on `Tue Apr 01 20:31:47 GMT 2025`
Record UNII	S84Y6DR4VB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-CHLOROFENTANYL

Common Name

English

DEA NO. 9818

Preferred Name

English

P-CHLORO FENTANYL

Common Name

English

CHLOROFENTANYL, PARA-

Common Name

English

P-CHLOROFENTANYL

Common Name

English

PARA-CHLOROFENTANYL

Common Name

English

N-(4-CHLOROPHENYL)-N-(1-PHENETHYL-4-PIPERIDYL)PROPANAMIDE

Systematic Name

English

PROPANAMIDE, N-(4-CHLOROPHENYL)-N-(1-(2-PHENYLETHYL)-4-PIPERIDINYL)-

Systematic Name

English

N-(4-chlorophenyl)-N-(1-phenethylpiperidin-4-yl)propionamide

Systematic Name

English

Classification Tree Code System Code

DEA NO.

9818

Created by admin on Tue Apr 01 20:31:47 GMT 2025 , Edited by admin on Tue Apr 01 20:31:47 GMT 2025

Code System Code Type Description

FDA UNII

S84Y6DR4VB

Created by admin on Tue Apr 01 20:31:47 GMT 2025 , Edited by admin on Tue Apr 01 20:31:47 GMT 2025

PRIMARY

PUBCHEM

527011

Created by admin on Tue Apr 01 20:31:47 GMT 2025 , Edited by admin on Tue Apr 01 20:31:47 GMT 2025

PRIMARY

CAS

117994-22-6

Created by admin on Tue Apr 01 20:31:47 GMT 2025 , Edited by admin on Tue Apr 01 20:31:47 GMT 2025

PRIMARY

EPA CompTox

DTXSID801036757

Created by admin on Tue Apr 01 20:31:47 GMT 2025 , Edited by admin on Tue Apr 01 20:31:47 GMT 2025

PRIMARY

Related Record Type Details


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Comments:

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Amount:


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P-CHLOROFENTANYL HYDROCHLORIDE

SALT/SOLVATE -> PARENT

Amount:


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MU-TYPE OPIOID RECEPTOR

TARGET -> AGONIST

Interaction Type:

BINDING

Qualification:

Ki

Amount:

Related Record Type Details


					S84Y6DR4VB

4-CHLOROFENTANYL

ACTIVE MOIETY

Comments:

ED50(mg/kg) = 0.220, Potency ratio to morphine = 1.5, Potency ratio to fentanyl = 0.03

Amount: