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Catalog Number | ACM86639523 |
CAS Number | 86639-52-3 |
Structure | ![]() |
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 |
Purity | 98% |
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 |
PhysicalState | Powder |
Rotatable Bond Count | 2 |
Topological Polar Surface Area | 100 Ų |
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