Exatecan MesylateProduct ingredient for Exatecan
- Name
- Exatecan Mesylate
- Drug Entry
- Exatecan
Exatecan has been used in trials studying the treatment of Sarcoma, Leukemia, Lymphoma, Lung Cancer, and Liver Cancer, among others.
- Accession Number
- DBSALT002149
- Structure
Structure for Exatecan Mesylate (DBSALT002149)
- Synonyms
- Not Available
- UNII
- D2VJ1CC26Q
- CAS Number
- 197720-53-9
- Weight
- Average: 567.59
Monoisotopic: 567.168678895 - Chemical Formula
- C25H30FN3O9S
- InChI Key
- FXQZOHBMBQTBMJ-MWPGLPCQSA-N
- InChI
- InChI=1S/C24H22FN3O4.CH4O3S.2H2O/c1-3-24(31)14-6-18-21-12(8-28(18)22(29)13(14)9-32-23(24)30)19-16(26)5-4-11-10(2)15(25)7-17(27-21)20(11)19;1-5(2,3)4;;/h6-7,16,31H,3-5,8-9,26H2,1-2H3;1H3,(H,2,3,4);2*1H2/t16-,24-;;;/m0.../s1
- IUPAC Name
- (10S,23S)-23-amino-10-ethyl-18-fluoro-10-hydroxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.0^{2,14}.0^{4,13}.0^{6,11}.0^{20,24}]tetracosa-1(24),2(14),6(11),12,15,17,19-heptaene-5,9-dione methanesulfonic acid dihydrate
- SMILES
- O.O.CS(O)(=O)=O.CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=C1N=C1C=C(F)C(C)=C4CC[C@H](N)C3=C14)C2=O
- External Links
- ChemSpider
- 133193
- ChEBI
- 31587
- ChEMBL
- CHEMBL3989759
- Predicted Properties
Property Value Source Water Solubility 0.221 mg/mL ALOGPS logP 1.67 ALOGPS logP 1.55 Chemaxon logS -3.3 ALOGPS pKa (Strongest Acidic) 11.71 Chemaxon pKa (Strongest Basic) 9.52 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 105.75 Å2 Chemaxon Rotatable Bond Count 1 Chemaxon Refractivity 115.8 m3·mol-1 Chemaxon Polarizability 45.46 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 No Chemaxon