Details of the Drug

General Information of Drug (ID: DM16GUV)

Drug Name

BRL 52537 hydrochloride

Synonyms

2-(3,4-Dichlorophenyl)-1-(2-(pyrrolidin-1-ylmethyl)piperidin-1-yl)ethanone hydrochloride; 130497-33-5; 112282-24-3; BRL 52537; AK-57392; (+/-)-1-(3,4-Dichlorophenyl)acetyl-2-(1-pyrrolidinyl)methylpiperidine hydrochloride; 2-(3,4-DICHLOROPHENYL)-1-(2-(PYRROLIDIN-1-YLMETHYL)PIPERIDIN-1-YL)ETHANONE HCL; SR-01000076141; EU-0101141; BRL-52537 hydrochloride; Brl 52537 HCl; MLS002153457; SCHEMBL8435659; CHEMBL1256835; KS-00000FTT; CTK8C4721; DTXSID00462129; MolPort-003-940-484; BCP21081; EBD29079

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

391.8

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

4

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

2

Chemical Identifiers

Formula: C18H25Cl3N2O
IUPAC Name: 2-(3,4-dichlorophenyl)-1-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone;hydrochloride
Canonical SMILES: C1CCN(C(C1)CN2CCCC2)C(=O)CC3=CC(=C(C=C3)Cl)Cl.Cl
InChI: InChI=1S/C18H24Cl2N2O.ClH/c19-16-7-6-14(11-17(16)20)12-18(23)22-10-2-1-5-15(22)13-21-8-3-4-9-21;/h6-7,11,15H,1-5,8-10,12-13H2;1H
InChIKey: NGVLSOWJSUUYDE-UHFFFAOYSA-N