Metabolite APC
- Name
- APC
- Description
- Not Available
- Structure
Structure for APC
- Synonyms
- (S)-4-((1-(((4,11-DIETHYL-4-HYDROXY-3,14-DIOXO-3,4,12,14-TETRAHYDRO-1H-PYRANO(3',4':6,7)INDOLIZINO(1,2-B)QUINOLIN-9-YL)OXY)CARBONYL)PIPERIDIN-4-YL)AMINO)BUTANOIC ACID / 7-ETHYL-10-(4-N-(5-AMINOPENTANOIC ACID)-1-PIPERIDINO)CARBONYLOXYCAMPTOTHECIN / 7-ethyl-10-[4-N-(5-aminopentanoicacid)-1-piperidino] carbonyloxycamptothecin
- External IDs
- RPR 121056 / RPR-121056 / RPR121056
- UNII
- QZR6VT7SW5
- CAS number
- 181467-56-1
- Weight
- Average: 604.66
Monoisotopic: 604.253314135 - Chemical Formula
- C32H36N4O8
- InChI Key
- LHWVOYZSLQYEBR-YTTGMZPUSA-N
- InChI
- InChI=1S/C32H36N4O8/c1-3-20-21-14-19(44-31(41)35-12-9-18(10-13-35)33-11-5-6-27(37)38)7-8-25(21)34-28-22(20)16-36-26(28)15-24-23(29(36)39)17-43-30(40)32(24,42)4-2/h7-8,14-15,18,33,42H,3-6,9-13,16-17H2,1-2H3,(H,37,38)/t32-/m0/s1
- IUPAC Name
- 4-{[1-({[(19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.0^{2,11}.0^{4,9}.0^{15,20}]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-7-yl]oxy}carbonyl)piperidin-4-yl]amino}butanoic acid
- SMILES
- CCC1=C2CN3C(=CC4=C(COC(=O)[C@]4(O)CC)C3=O)C2=NC2=CC=C(OC(=O)N3CCC(CC3)NCCCC(O)=O)C=C12
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available- External Links
- Predicted Properties
Property Value Source logP -0.93 Chemaxon pKa (Strongest Acidic) 4.64 Chemaxon pKa (Strongest Basic) 10.63 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 158.6 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 159.43 m3·mol-1 Chemaxon Polarizability 64.57 Å3 Chemaxon Number of Rings 6 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon