Vodudeutentan sodiumProduct ingredient for Vodudeutentan
- Name
- Vodudeutentan sodium
- Drug Entry
- Vodudeutentan
- Accession Number
- DBSALT003332
- Structure
Structure for Vodudeutentan sodium (DBSALT003332)
- Synonyms
- BQ-788, DI(METHYL-D)- / D-NORLEUCINE, N-((CIS-2,6-DI(METHYL-D)-1-PIPERIDINYL)CARBONYL)-4-METHYL-L-LEUCYL-1-(METHOXYCARBONYL)-D-TRYPTOPHYL-, Sodium salt / Vodudeutentan Na
- External IDs
- ENB 003 / ENB-003 / ENB003
- UNII
- AAY8R26VDX
- CAS Number
- 2364572-10-9
- Weight
- Average: 663.792
Monoisotopic: 663.36079325 - Chemical Formula
- C34H50N5NaO7
- InChI Key
- QCVIFBRTTLMEOV-UHFFFAOYSA-M
- InChI
- InChI=1S/C34H51N5O7.Na/c1-8-9-16-25(31(42)43)35-29(40)26(18-23-20-38(33(45)46-7)28-17-11-10-15-24(23)28)36-30(41)27(19-34(4,5)6)37-32(44)39-21(2)13-12-14-22(39)3;/h10-11,15,17,20-22,25-27H,8-9,12-14,16,18-19H2,1-7H3,(H,35,40)(H,36,41)(H,37,44)(H,42,43);/q;+1/p-1
- IUPAC Name
- sodium 2-(2-{2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-4,4-dimethylpentanamido}-3-[1-(methoxycarbonyl)-1H-indol-3-yl]propanamido)hexanoate
- SMILES
- [Na+].CCCCC(NC(=O)C(CC1=CN(C(=O)OC)C2=CC=CC=C12)NC(=O)C(CC(C)(C)C)NC(=O)N1C(C)CCCC1C)C([O-])=O
- External Links
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.00689 mg/mL ALOGPS logP 4.64 ALOGPS logP 4.62 Chemaxon logS -5 ALOGPS pKa (Strongest Acidic) 3.79 Chemaxon pKa (Strongest Basic) -0.87 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 161.9 Å2 Chemaxon Rotatable Bond Count 14 Chemaxon Refractivity 183.3 m3·mol-1 Chemaxon Polarizability 69.95 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon