Camptosar
[(19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-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)-heptaen-7-yl] 4-piperidin-1-ylpiperidine-1-carboxylate;trihydrate;hydrochloride
| Molecular Formula | C33H45ClN4O9 |
|---|---|
| Molecular Weight | 677.2 g/mol |
| Topological Polar Surface Area | 116.0 A2 |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 676.28754 |
| Heavy Atoms | 47 |
| Complexity | 1200.0 |
Chemical Identifiers
| CAS Number | 136572-09-3 |
|---|---|
| SMILES | CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)C4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7.O.O.O.Cl |
| InChIKey | KLEAIHJJLUAXIQ-JDRGBKBRSA-N |
📖 Product Overview
Camptosar (CAS: 136572-09-3) is a chemical compound with molecular formula C33H45ClN4O9 and molecular weight 677.2 g/mol. Its IUPAC systematic name is [(19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-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)-heptaen-7-yl] 4-piperidin-1-ylpiperidine-1-carboxylate;trihydrate;hydrochloride.
KLEAIHJJLUAXIQ-JDRGBKBRSA-N.
SMILES: CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)C4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7.O.O.O.Cl.
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