Thiethylperazine malateProduct ingredient for Thiethylperazine
- Name
- Thiethylperazine malate
- 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
- DBSALT001328
- Structure
Structure for Thiethylperazine malate (DBSALT001328)
- Synonyms
- Not Available
- UNII
- HP46XK89XB
- CAS Number
- 52239-63-1
- Weight
- Average: 667.79
Monoisotopic: 667.22333688 - Chemical Formula
- C30H41N3O10S2
- InChI Key
- GTHHLZDYRHLACN-UHFFFAOYSA-N
- InChI
- InChI=1S/C22H29N3S2.2C4H6O5/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*5-2(4(8)9)1-3(6)7/h4-5,7-10,17H,3,6,11-16H2,1-2H3;2*2,5H,1H2,(H,6,7)(H,8,9)
- IUPAC Name
- 2-(ethylsulfanyl)-10-[3-(4-methylpiperazin-1-yl)propyl]-10H-phenothiazine; bis(2-hydroxybutanedioic acid)
- SMILES
- OC(CC(O)=O)C(O)=O.OC(CC(O)=O)C(O)=O.CCSC1=CC2=C(SC3=CC=CC=C3N2CCCN2CCN(C)CC2)C=C1
- External Links
- ChemSpider
- 10128553
- ChEMBL
- CHEMBL2359670
- Wikipedia
- Thiethylperazine
- Predicted Properties
Property Value Source Water Solubility 0.00487 mg/mL ALOGPS logP 5.12 ALOGPS logP 4.66 Chemaxon logS -4.9 ALOGPS pKa (Strongest Basic) 8.4 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 9.72 Å2 Chemaxon Rotatable Bond Count 12 Chemaxon Refractivity 122.56 m3·mol-1 Chemaxon Polarizability 46.82 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon