UCSF

ZINC00056643

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 21 Yes

Popular Name: Diphenylpyraline hydrochloride Diphenylpyraline hydrochloride

Find On: PubMed — Wikipedia — Google

CAS Numbers: 132-18-3 , 132-18-3 147-20-6 [diphen , 132-18-3 147-20-6 [diphenylpyraline] , 147-20-6 , 606-90-6

Other Names:

1-methyl-4-hydroxypiperidine benzhydryl ether

1-methyl-4-hydroxypiperidine benzhydryl ether; 1-methyl-4-piperidyl benzhydryl ether; 4-(benzhydryloxy)-1-methylpiperidine; 4-(benzhydryloxy)-N-methylpiperidine; diphenylpyralamine

1-Methyl-4-piperidyl benzhydryl ether

1-Methyl-4-piperidyl benzhydryl ether hydrochloride; 1-Methylpiperidyl-4-benzhydrylether hydrochloride; 4-(Diphenylmethoxy)-1-methylpiperidine hydrochloride; Allerzine; Belfene hydrochloride; C19H23NO.HCl; DIPHENYLPYRALINE HYDROCHLORIDE; Diafen; Diafen (V

1-methyl-4-piperidyl benzhydryl ether hydrochloride; 1-methylpiperidyl-4-benzhydrylether hydrochloride; 4-(diphenylmethoxy)-1-methylpiperidine hydrochloride; diphenylpyraline HCl

132-18-3 (hydrochloride)

132-18-3; Diphenylpyraline hydrochloride; Prestwick_969

147-20-6

147-20-6; D07862; Diphenylpyraline (INN)

4-(Benzhydryloxy)-1-methylpiperidine

4-(Benzhydryloxy)-1-methylpiperidine hydrochloride

4-(benzhydryloxy)-N-methylpiperidine

4-(Diphenylmethoxy)-1-methylpiperidine

4-benzhydryloxy-1-methylpiperidine

4-DIPHENYLMETHOXY-1-METHYLPIPERIDINE

4-Diphenylmethoxy-1-methylpiperidine compound of 8-chlorotheophylline; C19H23NO.C7H7ClN4O2; Diphenylpyralin-8-chlor-theophyllinat [German]; Diphenylpyraline teoclate; EINECS 210-128-0; Kolton; LS-149447; Piprinhidrinato [INN-Spanish]; Piprinhydrinate; Pip

4-diphenylmethoxy-1-methylpiperidine hydrochlorid

4-DIPHENYLMETHOXY-1-METHYLPIPERIDINE HYDROCHLORIDE

4-DIPHENYLMETHOXY-1-METHYLPIPERIDINEHYDROCHLORIDE

4-[(diphenylmethyl)oxy]-1-methylpiperidine

5-21-01-00053 (Beilstein Handbook Reference)

606-90-6; D01627; Diphenylpyraline teoclate (JAN); Piprinhydrinate; Plokon (TN)

AB00053461

AC1L1F6E

Allergen

AN 1041

Belfene

BPBio1_000983

BRD-K22936972-003-05-3

BRN 0245467

BSPBio_000893

BSPBio_001922

C009871

C19H23NO

CAS-132-18-3

CHEBI:518482

CHEBI:547448

CHEBI:59788

CHEMBL1492

CID3103

D07862

Dafen

DAP001071

Dayfen

DB01146

Diafen

Difenilpiralina

Difenilpiralina [INN-Spanish]

difenilpiralina; diphenylpyraline; diphenylpyralinum

Diphenylpyralamine

Diphenylpyralamine;Diphenylpyrilene

Diphenylpyraline

Diphenylpyraline (BAN

Diphenylpyraline (hydrochloride)

Diphenylpyraline (INN)

Diphenylpyraline Hydrochloride

diphenylpyraline maleate (2:1)

Diphenylpyraline teoclate

Diphenylpyraline [INN:BAN]

Diphenylpyralinum

Diphenylpyralinum [INN-Latin]

Diphenylpyrilene

DivK1c_000851

EINECS 205-686-7

FDA); Diphenylpyraline Teoclate (JAN)

Hispril

Histryl

Histyn

Hystryl

I01-1866

IDI1_000851

INN); Diphenylpyraline HCl (FDA

INN); Diphenylpyraline HCl (MI

INN); Diphenylpyraline Hydrochloride (FDA

JAN

KBio1_000851

KBio2_001482

KBio2_004050

KBio2_006618

KBio3_001142

KBioGR_001121

KBioSS_001482

L001180

Lergobine

LS-115271

Lyssipoll

Mepiben

MFCD00012835

MFCD00242657

MFCD00792402

MI

N-Methylpiperidyl-(4)-benzhydrylaether salzsauren salze

N-Methylpiperidyl-(4)-benzhydrylaether salzsauren salze [German]

N/A

NCGC00016395-01

NCGC00178908-01

NCGC00178908-02

NCIOpen2_007716

Neargal

NINDS_000851

NSC61825

Oprea1_289175

PIPERIDINE, 4-(DIPHENYLMETHOXY)-1-METHYL-

Prestwick0_000707

Prestwick1_000707

Prestwick2_000707

Prestwick3_000707

SBB063499

SPBio_001043

SPBio_002814

Spectrum2_000982

Spectrum3_000401

Spectrum4_000521

Spectrum5_000917

Spectrum_001002

UNII-33361OE3AV

USP

USP); Diphenylpyraline Teoclate (JAN)

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.16 11.42 -35.57 1 2 1 14 282.407 4 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.88e-02 g/l DrugBank-approved
Purity 97% Fluorochem
Therapy antihistaminic SMDC MicroSource
Target Others Selleck Chemicals

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SC6A3-2-E Dopamine Transporter (cluster #2 Of 3), Eukaryotic Eukaryotes 420 0.43 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SC6A3_RAT P23977 Dopamine Transporter, Rat 420 0.43 Binding ≤ 1μM
SC6A3_RAT P23977 Dopamine Transporter, Rat 420 0.43 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Dopamine clearance from the synaptic cleft
Na+/Cl- dependent neurotransmitter transporters

Analogs ( Draw Identity 99% 90% 80% 70% )