IM-156Product ingredient for IM-156 free base
- Name
- IM-156
- Drug Entry
- IM-156 free base
- Accession Number
- DBSALT003270
- Structure
Structure for IM-156 (DBSALT003270)
- Synonyms
- 1-Pyrrolidinecarboximidamide, N-[imino[[4-(trifluoromethoxy)phenyl]amino]methyl]-, acetate (1:1) / HL271 acetate / N-(IMINO((4-(TRIFLUOROMETHOXY)PHENYL)AMINO)METHYL)-1-PYRROLIDINECARBOXIMIDAMIDE, ACETATE / N-(N-(4-(trifluoromethoxy)phenyl) carbamimidoyl)pyrrolidine-1-carboximidamide acetate (Or N1-(4-trifluoromethoxy)phenyl-N5-pyrrolidine biguanide acetate)
- External IDs
- HL-156ACC(O)=O.FC(F)(F)OC1=CC=C(NC(=N)NC(=N)N2CCCC2)C=C1 / HL156A / IM156
- UNII
- 8MS59W493C
- CAS Number
- 1422365-94-3
- Weight
- Average: 375.352
Monoisotopic: 375.151824013 - Chemical Formula
- C15H20F3N5O3
- InChI Key
- AGFDCTOLSXWRDZ-UHFFFAOYSA-N
- InChI
- InChI=1S/C13H16F3N5O.C2H4O2/c14-13(15,16)22-10-5-3-9(4-6-10)19-11(17)20-12(18)21-7-1-2-8-21;1-2(3)4/h3-6H,1-2,7-8H2,(H4,17,18,19,20);1H3,(H,3,4)
- IUPAC Name
- N'-(pyrrolidine-1-carboximidoyl)-N-[4-(trifluoromethoxy)phenyl]guanidine; acetic acid
- SMILES
- CC(O)=O.FC(F)(F)OC1=CC=C(NC(=N)NC(=N)N2CCCC2)C=C1
- External Links
- ChemSpider
- 103794085
- ChEMBL
- CHEMBL4650309
- Predicted Properties
Property Value Source logP 3.1 Chemaxon pKa (Strongest Basic) 10.17 Chemaxon Physiological Charge 2 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 84.23 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 93.59 m3·mol-1 Chemaxon Polarizability 29.31 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon