Belotecan hydrochlorideProduct ingredient for Belotecan
- Name
- Belotecan hydrochloride
- Drug Entry
- Belotecan
Belotecan has been investigated for the treatment of Epithelial Ovarian Cancer.
- Accession Number
- DBSALT002367
- Structure
Structure for Belotecan hydrochloride (DBSALT002367)
- Synonyms
- Not Available
- UNII
- 01DZ4127G7
- CAS Number
- 213819-48-8
- Weight
- Average: 469.97
Monoisotopic: 469.1768341 - Chemical Formula
- C25H28ClN3O4
- InChI Key
- SJKBXKKZBKCHET-UQIIZPHYSA-N
- InChI
- InChI=1S/C25H27N3O4.ClH/c1-4-25(31)19-11-21-22-17(12-28(21)23(29)18(19)13-32-24(25)30)15(9-10-26-14(2)3)16-7-5-6-8-20(16)27-22;/h5-8,11,14,26,31H,4,9-10,12-13H2,1-3H3;1H/t25-;/m0./s1
- IUPAC Name
- (19S)-19-ethyl-19-hydroxy-10-{2-[(propan-2-yl)amino]ethyl}-17-oxa-3,13-diazapentacyclo[11.8.0.0^{2,11}.0^{4,9}.0^{15,20}]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione hydrochloride
- SMILES
- Cl.CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=C1N=C1C=CC=CC1=C3CCNC(C)C)C2=O
- External Links
- ChemSpider
- 5293544
- ChEMBL
- CHEMBL2107315
- Predicted Properties
Property Value Source Water Solubility 0.0779 mg/mL ALOGPS logP 2.68 ALOGPS logP 1.69 Chemaxon logS -3.8 ALOGPS pKa (Strongest Acidic) 11.73 Chemaxon pKa (Strongest Basic) 10.24 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 91.76 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 121.66 m3·mol-1 Chemaxon Polarizability 47.95 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon