CAS 972-02-1|Difenidol HCl|Difenidol|Celmidol|Diphenidol|Verterge|Difenidol hydrochloride|Vontrol|Difenidolo [DCIT]|Cephadol|Difenidolum [INN-Latin]|Nometic|Diphenidol HCl|Satanolon|Maniol|1,1-diphe...

General Information

Structure

Molecular Formula

C₂₁H₂₇NO

Molecular Mass

309.44518

Exact Mass

309.20926449

Charge

InChI

InChI=1S/C21H27NO/c23-21(19-11-4-1-5-12-19,20-13-6-2-7-14-20)15-10-18-22-16-8-3-9-17-22/h1-2,4-7,11-14,23H,3,8-10,15-18H2

InChIKey

OGAKLTJNUQRZJU-UHFFFAOYSA-N

Canonic Smiles

OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1

Isomeric Smiles

OC(CCCN1CCCCC1)(c1ccccc1)c1ccccc1

Calculated Properties

JChem

LogD (pH = 7.4)

2.39

LogD (pH = 5.5)

0.92

Log P

4.22

Rotatable Bonds

H Donor

H Acceptors

Lipinski's Rule of Five

true

Acid pKa

9.23

Polar Surface Area

23.47

Polarizability

36.34

Molar Refractivity

96.92

LOG S

-3.36

Data Source

Academic Data

Data Source

Names and Identifiers

Synonyms

Difenidol HClDifenidolDiphenidolDifenidol hydrochlorideDifenidolo [DCIT]Difenidolum [INN-Latin]Diphenidol HClDiphenidol hydrochlorideDiphenidolDiphenyl(3-(1-piperidyl)propyl)carbinolalpha,alpha-Diphenyl-1-piperidinebutanoldiphenidol

Brand Name

CelmidolVertergeVontrolCephadolNometicSatanolonManiolYesdolAvomolCerrosaAnsmin

IUPAC name

1,1-diphenyl-4-(piperidin-1-yl)butan-1-ol

IUPAC Traditional name

diphenidol

International Nonproprietary Name (INN)

difenidoldifenidolum

Names and Identifiers

Registration numbers

PubChem SID

4650648616096456356464134

CHEMBL

936CHEMBL936

DrugBank ID

DB01231

Unique Ingredient Identifier

Chemspider ID

CHEBI ID

CAS Number

PubChem CID

Wikipedia Title

KEGG ID

MetaboLights Database

MTBLS2878

Reactom Database

R-HSA-9728747R-HSA-9728752R-HSA-9728748

Patent number

WO2007109142WO2005099702EP1661560US2006040900US2004254182

CompTox Database

DTXSID3022950

GeneOntology Database

NMRShiftDB Database

KEGG DRUG Database

Reaxys Registry

PubMed Citation Links

2559644525573083

ACToR Database

972-02-1

Drug Central Database

SureChEMBL Database

BindingDB Database

LINCS Database

HMDB Database

Beilstein Number

Registration numbers

Properties

Physical Property

Hydrophobicity(logP)

4.3

Pharmacology Properties

Half Life

4 hours

Admin Routes

Oral

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

DrugBank

DB01231

Drug Groups

approved

Description

Diphenidol is an antiemetic agent used in the treatment of vomiting and vertigo. Diphenidol overdose may result in serious toxicity in children.

Indication

For use in the prevention and symptomatic treatment of peripheral (labyrinthine) vertigo and associated nausea and vomiting that occur in such conditions as Meniere's disease and surgery of the middle and inner ear. Also for the control of nausea and vomiting associated with postoperative states, malignant neoplasms, labyrinthine disturbances, antineoplastic agent therapy, radiation sickness, and infectious diseases.

Pharmacology

Diphenidol is used for control of nausea and vomiting. It has an antivertigo effect on the vestibular apparatus, inhibiting the chemoreceptor trigger zone to control nausea and vomiting, thus preventing motion sickness.

Toxicity

Symptoms of overdose include drowsiness (severe); shortness of breath or troubled breathing; unusual tiredness or weakness (severe).

Affected Organisms

Humans and other mammals

Absorption

Well absorbed from gastrointestinal tract following oral administration.

Half Life

4 hours

References

• [Link]

External Links

• [Drugs.com]