Mitemcinal fumarateProduct ingredient for Mitemcinal
- Name
- Mitemcinal fumarate
- Drug Entry
- Mitemcinal
Mitemcinal (GM-611) is a novel erythromycin-derived prokinetic agent that acts as an agonist at the motilin receptor.
- Accession Number
- DBSALT002825
- Structure
Structure for Mitemcinal fumarate (DBSALT002825)
- Synonyms
- Not Available
- External IDs
- 115-8543 Japan / GM 611 / GM-611 / GM611
- UNII
- XU63LQ260J
- CAS Number
- 154802-96-7
- Weight
- Average: 872.059
Monoisotopic: 871.492935275 - Chemical Formula
- C44H73NO16
- InChI Key
- IDLXWTNPDREJQZ-HSOMBQIOSA-N
- InChI
- InChI=1S/C40H69NO12.C4H4O4/c1-16-28-40(12,47-15)33(43)23(6)31-21(4)18-39(11,53-31)35(52-37-30(42)27(17-22(5)48-37)41(13)20(2)3)24(7)32(25(8)36(45)50-28)51-29-19-38(10,46-14)34(44)26(9)49-29;5-3(6)1-2-4(7)8/h20,22-30,32,34-35,37,42,44H,16-19H2,1-15H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t22-,23+,24+,25-,26+,27+,28-,29+,30-,32+,34+,35-,37+,38-,39-,40-;/m1./s1
- IUPAC Name
- (2E)-but-2-enedioic acid; (2S,4R,5R,8R,9S,10S,11R,12R)-5-ethyl-9-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy}-11-{[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-[methyl(propan-2-yl)amino]oxan-2-yl]oxy}-4-methoxy-2,4,8,10,12,14-hexamethyl-6,15-dioxabicyclo[10.2.1]pentadec-1(14)-ene-3,7-dione
- SMILES
- OC(=O)\C=C\C(O)=O.CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C(C)C)[C@@]2(C)CC(C)=C(O2)[C@H](C)C(=O)[C@]1(C)OC
- External Links
- ChemSpider
- 28528194
- ChEMBL
- CHEMBL2105890
- Predicted Properties
Property Value Source Water Solubility 0.038 mg/mL ALOGPS logP 4.2 ALOGPS logP 4.9 Chemaxon logS -4.3 ALOGPS pKa (Strongest Acidic) 12.63 Chemaxon pKa (Strongest Basic) 9.63 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 12 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 151.68 Å2 Chemaxon Rotatable Bond Count 11 Chemaxon Refractivity 197.85 m3·mol-1 Chemaxon Polarizability 82.93 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