Atevirdine MesylateProduct ingredient for Atevirdine
- Name
- Atevirdine Mesylate
- Drug Entry
- Atevirdine
Atevirdine has been used in trials studying the treatment of HIV Infections.
- Accession Number
- DBSALT002166
- Structure
Structure for Atevirdine Mesylate (DBSALT002166)
- Synonyms
- Not Available
- UNII
- A948D8673W
- CAS Number
- 138540-32-6
- Weight
- Average: 475.56
Monoisotopic: 475.188940228 - Chemical Formula
- C22H29N5O5S
- InChI Key
- HKPKBPALSLUFFM-UHFFFAOYSA-N
- InChI
- InChI=1S/C21H25N5O2.CH4O3S/c1-3-22-18-5-4-8-23-20(18)25-9-11-26(12-10-25)21(27)19-14-15-13-16(28-2)6-7-17(15)24-19;1-5(2,3)4/h4-8,13-14,22,24H,3,9-12H2,1-2H3;1H3,(H,2,3,4)
- IUPAC Name
- N-ethyl-2-[4-(5-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]pyridin-3-amine; methanesulfonic acid
- SMILES
- CS(O)(=O)=O.CCNC1=CC=CN=C1N1CCN(CC1)C(=O)C1=CC2=CC(OC)=CC=C2N1
- External Links
- ChemSpider
- 54834
- ChEMBL
- CHEMBL7264
- Predicted Properties
Property Value Source Water Solubility 0.0382 mg/mL ALOGPS logP 2.93 ALOGPS logP 2.08 Chemaxon logS -4 ALOGPS pKa (Strongest Acidic) 14.5 Chemaxon pKa (Strongest Basic) 6.88 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 73.49 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 112 m3·mol-1 Chemaxon Polarizability 42.93 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon