Metabolite M8 iptacopan
- Name
- M8 iptacopan
- Description
- Not Available
- Structure
Structure for M8 iptacopan
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 598.649
Monoisotopic: 598.252645432 - Chemical Formula
- C31H38N2O10
- InChI Key
- AICDTHCACKMXPN-FTBNDQFFSA-N
- InChI
- InChI=1S/C31H38N2O10/c1-4-41-19-10-12-33(15-21-20-9-11-32-24(20)16(2)13-23(21)40-3)22(14-19)17-5-7-18(8-6-17)30(39)43-31-27(36)25(34)26(35)28(42-31)29(37)38/h5-9,11,13,19,22,25-28,31-32,34-36H,4,10,12,14-15H2,1-3H3,(H,37,38)/t19-,22-,25-,26-,27+,28-,31?/m0/s1
- IUPAC Name
- (2S,3S,4S,5R)-6-{4-[(2S,4S)-4-ethoxy-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzoyloxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
- SMILES
- CCO[C@H]1CCN(CC2=C(OC)C=C(C)C3=C2C=CN3)[C@@H](C1)C1=CC=C(C=C1)C(=O)OC1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available- External Links
- Not Available
- Predicted Properties
Property Value Source logP -0.35 Chemaxon pKa (Strongest Acidic) 2.77 Chemaxon pKa (Strongest Basic) 8.38 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 10 Chemaxon Hydrogen Donor Count 5 Chemaxon Polar Surface Area 171.01 Å2 Chemaxon Rotatable Bond Count 10 Chemaxon Refractivity 154.25 m3·mol-1 Chemaxon Polarizability 63.88 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon