CAS 2622-30-2|1-(10-{3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl}-10H-phenothiazin-2-yl)propan-1-one|carphenazine|Proketazin|Carfenazine|Carphenazine|Proketazine|Procethazine|Carphenazin|Proketazine|...

General Information

Structure

Molecular Formula

C₂₄H₃₁N₃O₂S

Molecular Mass

425.58684

Exact Mass

425.21369825

Charge

InChI

InChI=1S/C24H31N3O2S/c1-2-22(29)19-8-9-24-21(18-19)27(20-6-3-4-7-23(20)30-24)11-5-10-25-12-14-26(15-13-25)16-17-28/h3-4,6-9,18,28H,2,5,10-17H2,1H3

InChIKey

XZSMZRXAEFNJCU-UHFFFAOYSA-N

Canonic Smiles

OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(=O)CC

Isomeric Smiles

S1c2c(N(CCCN3CCN(CC3)CCO)c3c1cccc3)cc(cc2)C(=O)CC

Calculated Properties

JChem

LogD (pH = 7.4)

2.82

LogD (pH = 5.5)

1.09

Log P

3.35

Rotatable Bonds

H Donor

H Acceptors

Lipinski's Rule of Five

true

Acid pKa

7.78

Polar Surface Area

47.02

Polarizability

49.07

Molar Refractivity

126.32

LOG S

-3.90

Data Source

Academic Data

Data Source

Names and Identifiers

IUPAC name

1-(10-{3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl}-10H-phenothiazin-2-yl)propan-1-one

Brand Name

ProcethazineProketazinProketazine

Synonyms

CarfenazineCarphenazinCarphenazineProketazinecarphenazine1-(10-(3-(4-(2-hydroxyethyl)-1-piperazinyl)propyl)phenothiazin-2-yl)-1-propanonecarfenazine

IUPAC Traditional name

carphenazine

International Nonproprietary Name (INN)

carfenazinumcarfenazinacarfenazine

Names and Identifiers

Registration numbers

CAS Number

PubChem SID

DrugBank ID

CHEMBL

Unique Ingredient Identifier

Wikipedia Title

PubChem CID

Chemspider ID

HMDB Database

MetaboLights Database

MTBLS2871MTBLS2267MTBLS1693MTBLS2145

ACToR Database

2622-30-2

Patent number

EP1844769WO2005092392US2008255073

Drug Central Database

CHEBI ID

Beilstein Number

SureChEMBL Database

CompTox Database

Registration numbers

Properties

Physical Property

Hydrophobicity(logP)

3.3

Pharmacology Properties

US Licence

Proketazine

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

DrugBank

DB01038

Drug Groups

approved

Description

Carphenazine is an antipsychotic drug, used in hospitalized patients in the management of chronic schizophrenic psychoses.

Indication

Used in the treatment of acute or chronic schizophrenic reactions in hospitalized patients.

Pharmacology

Carphenazine is a phenothiazine antipsychotic agent with a piperazine side-chain.

Affected Organisms

Humans and other mammals

A member of the class of phenothiazines that is 10H-phenothiazine which carries a propanoyl group at position 2 and a 3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl group at position N-10. It is an antipsychotic drug that is used for the treatment of chronic schizophrenia.

Molecule Details

References

PubChem Literature

No Data Available

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References

Bioactivity

PubChem BioAssay

Bioactivity

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