Topotecan hydrochlorideProduct ingredient for Topotecan
- Name
- Topotecan hydrochloride
- Drug Entry
- Topotecan
An antineoplastic agent used to treat ovarian cancer. It works by inhibiting DNA topoisomerases, type I.
- Accession Number
- DBSALT000322
- Structure
Structure for Topotecan hydrochloride (DBSALT000322)
- Synonyms
- Topotecan HCl
- UNII
- 956S425ZCY
- CAS Number
- 119413-54-6
- Weight
- Average: 457.907
Monoisotopic: 457.1404486 - Chemical Formula
- C23H24ClN3O5
- InChI Key
- DGHHQBMTXTWTJV-BQAIUKQQSA-N
- InChI
- InChI=1S/C23H23N3O5.ClH/c1-4-23(30)16-8-18-20-12(9-26(18)21(28)15(16)11-31-22(23)29)7-13-14(10-25(2)3)19(27)6-5-17(13)24-20;/h5-8,27,30H,4,9-11H2,1-3H3;1H/t23-;/m0./s1
- IUPAC Name
- (19S)-8-[(dimethylamino)methyl]-19-ethyl-7,19-dihydroxy-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(O)=C(CN(C)C)C1=C3)C2=O
- External Links
- Human Metabolome Database
- HMDB0301823
- PubChem Compound
- 60699
- ChemSpider
- 54704
- ChEMBL
- CHEMBL1607
- Wikipedia
- Topotecan
- Predicted Properties
Property Value Source Water Solubility 0.861 mg/mL ALOGPS logP 1.84 ALOGPS logP -0.33 Chemaxon logS -2.7 ALOGPS pKa (Strongest Acidic) 8 Chemaxon pKa (Strongest Basic) 9.75 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 103.2 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 115.02 m3·mol-1 Chemaxon Polarizability 44.85 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