U-50488 hydrochloride

Details

Stereochemistry	RACEMIC
Molecular Formula	C19H26Cl2N2O.ClH
Molecular Weight	405.789
Optical Activity	( + / - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.CN([C@@H]1CCCC[C@H]1N2CCCC2)C(=O)CC3=CC=C(Cl)C(Cl)=C3

InChI

InChIKey=KGMMGVIYOHGOKQ-JAXOOIEVSA-N

InChI=1S/C19H26Cl2N2O.ClH/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23;/h8-9,12,17-18H,2-7,10-11,13H2,1H3;1H/t17-,18-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C19H26Cl2N2O
Molecular Weight	369.329
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

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

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Kappa opioid receptor 115 Target ID: CHEMBL3952 Sources: https://www.ncbi.nlm.nih.gov/pubmed/2822490	Agonist 2752		90.3 µM [Kd]

Substance Class	Chemical Created by `admin` on `Wed Apr 02 20:19:49 GMT 2025` Edited by `admin` on `Wed Apr 02 20:19:49 GMT 2025`
Record UNII	W8NB6NA55F
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

MCV-4133

Preferred Name

English

U-50488 hydrochloride

Common Name

English

U 50488E

Code

English

NIH 9470

Code

English

trans-3,4-dichloro-N-methyl-N-[(1R,2R)-2-(1-pyrrolidinyl)cyclohexyl]-benzeneacetamide monohydrochloride

Common Name

English

Code System Code Type Description

FDA UNII

W8NB6NA55F

Created by admin on Wed Apr 02 20:19:49 GMT 2025 , Edited by admin on Wed Apr 02 20:19:49 GMT 2025

PRIMARY

CAS

67197-96-0

Created by admin on Wed Apr 02 20:19:49 GMT 2025 , Edited by admin on Wed Apr 02 20:19:49 GMT 2025

PRIMARY

PUBCHEM

6918162

Created by admin on Wed Apr 02 20:19:49 GMT 2025 , Edited by admin on Wed Apr 02 20:19:49 GMT 2025

PRIMARY

CAYMAN

19363

Created by admin on Wed Apr 02 20:19:49 GMT 2025 , Edited by admin on Wed Apr 02 20:19:49 GMT 2025

PRIMARY

Related Record Type Details


					39K8JHE8XN

U-50488

PARENT -> SALT/SOLVATE

Amount: