Thiethylperazine maleateProduct ingredient for Thiethylperazine

Name
Thiethylperazine maleate
Drug Entry
Thiethylperazine

A dopamine antagonist that is particularly useful in treating the nausea and vomiting associated with anesthesia, mildly emetic cancer chemotherapy agents, radiation therapy, and toxins. This piperazine phenothiazine does not prevent vertigo or motion sickness. (From AMA Drug Evaluations Annual, 1994, p457)

Accession Number
DBSALT001059
Structure
Synonyms
Not Available
UNII
RUK64CF26E
CAS Number
1179-69-7
Weight
Average: 631.76
Monoisotopic: 631.202207511
Chemical Formula
C30H37N3O8S2
InChI Key
RVBRTNPNFYFDMZ-SPIKMXEPSA-N
InChI
InChI=1S/C22H29N3S2.2C4H4O4/c1-3-26-18-9-10-22-20(17-18)25(19-7-4-5-8-21(19)27-22)12-6-11-24-15-13-23(2)14-16-24;2*5-3(6)1-2-4(7)8/h4-5,7-10,17H,3,6,11-16H2,1-2H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-
IUPAC Name
bis((2Z)-but-2-enedioic acid); 2-(ethylsulfanyl)-10-[3-(4-methylpiperazin-1-yl)propyl]-10H-phenothiazine
SMILES
OC(=O)\C=C/C(O)=O.OC(=O)\C=C/C(O)=O.CCSC1=CC2=C(SC3=C(C=CC=C3)N2CCCN2CCN(C)CC2)C=C1
ChemSpider
4445553
ChEBI
32216
ChEMBL
CHEMBL3989478
Wikipedia
Thiethylperazine
Predicted Properties
PropertyValueSource
Water Solubility0.00487 mg/mLALOGPS
logP5.12ALOGPS
logP4.66Chemaxon
logS-4.9ALOGPS
pKa (Strongest Basic)8Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area9.72 Å2Chemaxon
Rotatable Bond Count10Chemaxon
Refractivity122.56 m3·mol-1Chemaxon
Polarizability46.82 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleYesChemaxon