Carphenazine maleateProduct ingredient for Carphenazine

Name
Carphenazine maleate
Drug Entry
Carphenazine

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

Accession Number
DBSALT001419
Structure
Thumb
Synonyms
Not Available
UNII
0HX1Z0A2MC
CAS Number
2975-34-0
Weight
Average: 657.74
Monoisotopic: 657.235615642
Chemical Formula
C32H39N3O10S
InChI Key
TVPJGGZLZLUPOB-SPIKMXEPSA-N
InChI
InChI=1S/C24H31N3O2S.2C4H4O4/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;2*5-3(6)1-2-4(7)8/h3-4,6-9,18,28H,2,5,10-17H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-
IUPAC Name
bis((2Z)-but-2-enedioic acid); 1-(10-{3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl}-10H-phenothiazin-2-yl)propan-1-one
SMILES
[H]\C(=C(/[H])C(O)=O)C(O)=O.[H]\C(=C(/[H])C(O)=O)C(O)=O.CCC(=O)C1=CC2=C(SC3=CC=CC=C3N2CCCN2CCN(CCO)CC2)C=C1
External Links
ChemSpider
4938524
ChEMBL
CHEMBL2358147
Wikipedia
Carfenazine
Predicted Properties
PropertyValueSource
Water Solubility0.0366 mg/mLALOGPS
logP3.26ALOGPS
logP3.35ChemAxon
logS-4.1ALOGPS
pKa (Strongest Acidic)15.56ChemAxon
pKa (Strongest Basic)8.07ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area47.02 Å2ChemAxon
Rotatable Bond Count12ChemAxon
Refractivity126.32 m3·mol-1ChemAxon
Polarizability48.94 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon