Rucosopasem manganeseProduct ingredient for Avasopasem
- Name
- Rucosopasem manganese
- Drug Entry
- Avasopasem
- Accession Number
- DBSALT003455
- Structure
Structure for Rucosopasem manganese (DBSALT003455)
- Synonyms
- AVASOPASEM MANGANESE DIPROPIONATE / BIS-PROPIONATO(GC4419) / GC-4419 DIPROPIONATE / Manganese, [(4aS,5R,13R,13aS,17aS,18R,21R,21aS)-1,2,3,4,4a,5,6,12,13,13a,14,15,16,17,17a,18,19,20,21,21a-eicosahydro-11,7-nitrilo-7H-dibenzo[b,h][1,4,7,10]tetraazacycloheptadecine-κN5,κN13,κN18,κN21,κN22]bis(propanoato-κO)-, (PB-7-11-2344′3′)- / PBPY-7-11-2344′3′)-bis(propanoato-kO)[(11S,12S,2R,6R,71S,72S,8R,11R)-2,6,8,11-tetraaza-4(2,6)-pyridina-1,7(1,2)-dicyclohexanacycloundecaphane-k5N2,N41,N6,N8,N11]manganese
- External IDs
- GC 4711 / GC-4711 / GC4711
- UNII
- FW5T90VM32
- CAS Number
- Not Available
- Weight
- Average: 558.626
Monoisotopic: 558.285199 - Chemical Formula
- C27H45MnN5O4
- InChI Key
- AVSNGWGGPXFPQX-NDOCQCNASA-L
- InChI
- InChI=1S/C21H35N5.2C3H6O2.Mn/c1-3-10-20-18(8-1)22-12-13-23-19-9-2-4-11-21(19)25-15-17-7-5-6-16(26-17)14-24-20;2*1-2-3(4)5;/h5-7,18-25H,1-4,8-15H2;2*2H2,1H3,(H,4,5);/q;;;+2/p-2/t18-,19-,20-,21-;;;/m0.../s1
- IUPAC Name
- manganese(2+) (4S,9S,14S,19S)-3,10,13,20,26-pentaazatetracyclo[20.3.1.0^{4,9}.0^{14,19}]hexacosa-1(26),22,24-triene dipropanoate
- SMILES
- [Mn++].CCC([O-])=O.CCC([O-])=O.C1CC[C@@H]2NCC3=CC=CC(CN[C@H]4CCCC[C@@H]4NCCN[C@H]2C1)=N3
- External Links
- ChemSpider
- 64854391
- Predicted Properties
Property Value Source logP 1.96 Chemaxon pKa (Strongest Basic) 10.28 Chemaxon Physiological Charge 3 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 61.01 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 105 m3·mol-1 Chemaxon Polarizability 42.71 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon