7-Ethyl-10-hydroxycamptothecin

• Catalog Number: ACM86639523
• Product Name: 7-Ethyl-10-hydroxycamptothecin
• CAS: 86639-52-3
• Category: Main Products
• Synonyms: 7-10-Hydroxycamptothecin
• IUPAC Name: (19S)-10,19-diethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione
• Molecular Weight: 392.4
• Molecular Formula: C22H20N2O5
• Canonical SMILES: CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O
• InChI: InChI=1S/C22H20N2O5/c1-3-12-13-7-11(25)5-6-17(13)23-19-14(12)9-24-18(19)8-16-15(20(24)26)10-29-21(27)22(16,28)4-2/h5-8,25,28H,3-4,9-10H2,1-2H3/t22-/m0/s1
• InChI Key: FJHBVJOVLFPMQE-QFIPXVFZSA-N
• Boiling Point: 810.3±65.0 °C
• Melting Point: 217 °C
• Density: 1.51±0.1 g/ml
• Appearance: Powder
• Complexity: 820
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 1
• Exact Mass: 392.13722174
• Heavy Atom Count: 29
• Hydrogen Bond Acceptor Count: 6
• Hydrogen Bond Donor Count: 2
• Isomeric SMILES: CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O
• Monoisotopic Mass: 392.13722174
• Physical State: Powder
• pKa: 9.13±0.40
• Refractive Index: 21.5 ° (C=0.2, THF)
• Rotatable Bond Count: 2
• Topological Polar Surface Area: 100 Ų